Comparison of different strategies for modelling hydrogen atoms in charge density analyses

The quality of various approximation methods for modelling anisotropic displacement parameters (ADPs) for hydrogen atoms was investigated in a comparative study. A multipole refinement was performed against high-resolution single crystal X-ray data of 9-di­phenyl­thio­phospho­ranylanthracene (SPAnH) and 9,10-bis-di­phenyl­thio­phospho­ranylanthracene·toluene (SPAnPS). Hydrogen-atom parameters and structural properties derived from our collected neutron data sets were compared with those obtained from the SHADE-server, the software APD-Toolkit based on the invariom database, the results from Hirshfeld atom refinement conducted in the OLEX2 GUI (HARt), and the results of anisotropic hydrogen refinement within XD2016. Additionally, a free refinement of H-atom positions against X-ray data was performed with fixed ADPs from various methods. The resulting C—H bond distances were compared with distances from neutron diffraction experiments and the HARt results. Surprisingly, the refinement of anisotropic hydrogen displacement parameters against the X-ray data yielded the smallest deviations from the neutron values. However, the refinement of bond-directed quadrupole parameters turned out to be vital for the quality of the resulting ADPs. In both model structures, SHADE and, to a lesser extent, APD-Toolkit showed problems in dealing with atoms bonded to carbon atoms with refined Gram-Charlier parameters for anharmonic motion. The HARt method yields the most accurate C—H bond distances compared to neutron data results. Unconstrained refinement of hydrogen atom positions using ADPs derived from all other used approximation methods showed that even with well approximated hydrogen ADPs, the resulting distances were still significantly underestimated.

Computing details

Program(s) used to refine structure: Volkov et al., (2006) for SPAnH_APD, SPAnH_Neutron, SPANH_Neutron_Data, SPAnH_Aniso_noQ0, SPAnH_AnisoQ0, SPAnH_SHADE, SPAnPS_Aniso_noQ0, SPAnPS_AnisoQ0, SPAnPS_APD, SPANPS_Neutron_Data, SPAnPS_Neutron, SPAnPS_SHADE. Molecular graphics: Volkov et al., (2006) for SPAnH_APD, SPAnH_Neutron, SPANH_Neutron_Data, SPAnH_Aniso_noQ0, SPAnH_AnisoQ0, SPAnH_SHADE, SPAnPS_Aniso_noQ0, SPAnPS_AnisoQ0, SPAnPS_APD, SPANPS_Neutron_Data, SPAnPS_Neutron, SPAnPS_SHADE. Software used to prepare material for publication: Volkov et al., (2006) for SPAnH_APD, SPAnH_Neutron, SPANH_Neutron_Data, SPAnH_Aniso_noQ0, SPAnH_AnisoQ0, SPAnH_SHADE, SPAnPS_Aniso_noQ0, SPAnPS_AnisoQ0, SPAnPS_APD, SPANPS_Neutron_Data, SPAnPS_Neutron, SPAnPS_SHADE.

(SPAnH_APD)

Crystal data

C26H19PS	Z = 4
Mr = 394.44	F(000) = 824
Triclinic, P1	Dx = 1.327 Mg m^−3
a = 10.223 (2) Å	Cell parameters from 9960 reflections
b = 12.326 (2) Å	θ = 1.2–54.7°
c = 17.357 (3) Å	µ = 0.25 mm^−1
α = 101.55 (2)°	T = 100 K
β = 91.23 (2)°	Block, yellow
γ = 112.05 (2)°	0.22 × 0.19 × 0.11 mm
V = 1974.8 (7) Å^3

Data collection

Bruker Smart APEX II Ultra diffractometer	41917 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.023
Absorption correction: multi-scan SADABS-2016/2	θmax = 54.7°, θmin = 1.2°
Tmin = 0.946, Tmax = 0.973	h = −23→23
299913 measured reflections	k = −28→28
48281 independent reflections	l = −39→39

Refinement

Refinement on F^2	816 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.014	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.022	(Δ/σ)max < 0.001
S = 1.57	Δρmax = 0.20 e Å^−3
41640 reflections	Δρmin = −0.21 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.338710 (8)	0.550029 (7)	0.771169 (5)	0.015
S(2)	0.790618 (10)	0.537315 (7)	0.663487 (5)	0.021
P(1)	0.240530 (3)	0.387121 (3)	0.786503 (2)	0.01
P(2)	0.897288 (8)	0.702385 (6)	0.655783 (4)	0.012
C(1)	0.171022 (11)	0.374959 (10)	0.881909 (6)	0.011
C(2)	0.039150 (12)	0.387531 (10)	0.891256 (6)	0.011
C(3)	−0.021020 (13)	0.439066 (11)	0.840372 (6)	0.013
C(4)	−0.151132 (14)	0.444526 (12)	0.849780 (7)	0.016
C(5)	−0.23237 (3)	0.39753 (3)	0.909769 (19)	0.018
C(6)	−0.176481 (13)	0.353051 (13)	0.961975 (8)	0.016
C(7)	−0.038896 (12)	0.349043 (11)	0.955328 (6)	0.012
C(8)	0.021308 (12)	0.309867 (11)	1.011351 (7)	0.013
C(9)	0.159553 (12)	0.313816 (10)	1.009074 (6)	0.011
C(10)	0.224310 (13)	0.287354 (11)	1.072639 (7)	0.014
C(11)	0.361301 (14)	0.295537 (13)	1.073723 (7)	0.016
C(12)	0.44074 (3)	0.33229 (3)	1.010644 (18)	0.018
C(13)	0.381472 (13)	0.356710 (12)	0.948085 (7)	0.015
C(14)	0.237514 (12)	0.347350 (10)	0.943790 (6)	0.011
C(15)	0.347443 (12)	0.296700 (10)	0.767152 (6)	0.011
C(16)	0.295345 (13)	0.177710 (11)	0.775857 (8)	0.015
C(17)	0.375685 (14)	0.108220 (11)	0.757684 (8)	0.016
C(18)	0.507356 (14)	0.156323 (12)	0.729299 (8)	0.017
C(19)	0.558966 (13)	0.274193 (12)	0.720094 (8)	0.015
C(20)	0.479729 (12)	0.345051 (10)	0.739674 (7)	0.013
C(21)	0.084036 (12)	0.298658 (10)	0.715628 (6)	0.011
C(22)	0.067442 (14)	0.337643 (12)	0.647452 (7)	0.015
C(23)	−0.054620 (16)	0.274529 (14)	0.594363 (8)	0.019
C(24)	−0.15934 (3)	0.17206 (3)	0.609072 (18)	0.019
C(25)	−0.141675 (14)	0.130927 (12)	0.676270 (8)	0.017
C(26)	−0.020480 (13)	0.194201 (11)	0.729464 (7)	0.014
C(27)	0.925902 (12)	0.813234 (10)	0.748495 (6)	0.011
C(28)	1.048264 (12)	0.847136 (10)	0.802853 (6)	0.011
C(29)	1.140706 (13)	0.782962 (11)	0.798687 (7)	0.013
C(30)	1.255449 (14)	0.818602 (13)	0.853823 (7)	0.016
C(31)	1.288810 (14)	0.922163 (13)	0.916392 (8)	0.017
C(32)	1.201645 (13)	0.984185 (12)	0.924284 (7)	0.016
C(33)	1.077534 (12)	0.946288 (10)	0.869813 (6)	0.012
C(34)	0.981934 (13)	1.003077 (10)	0.883039 (7)	0.013
C(35)	0.852173 (13)	0.959295 (10)	0.836353 (7)	0.012
C(36)	0.748732 (15)	1.009493 (12)	0.857099 (8)	0.016
C(37)	0.616418 (15)	0.960100 (14)	0.816458 (8)	0.018
C(38)	0.581201 (14)	0.857875 (14)	0.752547 (8)	0.018
C(39)	0.679940 (13)	0.810914 (12)	0.728822 (7)	0.015
C(40)	0.820904 (12)	0.860897 (10)	0.768805 (6)	0.012
C(41)	0.815810 (13)	0.746837 (10)	0.579338 (6)	0.013
C(42)	0.869494 (15)	0.864429 (12)	0.568404 (7)	0.016
C(43)	0.81299 (4)	0.89187 (3)	0.504688 (18)	0.019
C(44)	0.70260 (4)	0.80308 (3)	0.451915 (18)	0.021
C(45)	0.64715 (4)	0.68631 (3)	0.463435 (18)	0.021
C(46)	0.70364 (3)	0.65819 (3)	0.526991 (17)	0.017
C(47)	1.07130 (3)	0.72515 (3)	0.621506 (15)	0.014
C(48)	1.10161 (4)	0.62439 (3)	0.591605 (18)	0.021
C(49)	1.23143 (4)	0.63791 (4)	0.56215 (2)	0.028
C(50)	1.33135 (4)	0.75183 (4)	0.56244 (2)	0.028
C(51)	1.30123 (3)	0.85262 (4)	0.592631 (19)	0.023
C(52)	1.17197 (3)	0.83984 (3)	0.621978 (17)	0.017
H(3)	0.04005	0.478774	0.79573	0.028
H(4)	−0.191994	0.486826	0.8117	0.033
H(5)	−0.33488	0.403619	0.9151	0.035
H(6)	−0.230396	0.32306	1.011467	0.032
H(8)	−0.040082	0.27995	1.058633	0.031
H(10)	0.163224	0.265348	1.121576	0.032
H(11)	0.412574	0.280157	1.123337	0.035
H(12)	0.551558	0.344827	1.014039	0.033
H(13)	0.446331	0.390659	0.902978	0.028
H(16)	0.193882	0.139079	0.798171	0.026
H(17)	0.335489	0.016916	0.765714	0.031
H(18)	0.569821	0.102199	0.715448	0.035
H(19)	0.660898	0.311602	0.697991	0.033
H(20)	0.520256	0.43722	0.733347	0.029
H(22)	0.148322	0.419093	0.637561	0.029
H(23)	−0.068309	0.306308	0.542129	0.035
H(24)	−0.255474	0.124502	0.568754	0.037
H(25)	−0.22153	0.049657	0.687077	0.032
H(26)	−0.01106	0.164763	0.783318	0.027
H(29)	1.117253	0.701267	0.753908	0.03
H(30)	1.320093	0.765788	0.850208	0.036
H(31)	1.380826	0.949912	0.958859	0.036
H(32)	1.220773	1.061473	0.972179	0.032
H(34)	1.006533	1.080054	0.93193	0.031
H(36)	0.777743	1.085969	0.906743	0.033
H(37)	0.536166	0.995464	0.832849	0.038
H(38)	0.474295	0.81535	0.722812	0.036
H(39)	0.648533	0.729915	0.68251	0.029
H(42)	0.953913	0.93621	0.608878	0.028
H(43)	0.855848	0.983404	0.49711	0.034
H(44)	0.660271	0.825778	0.402478	0.04
H(45)	0.561032	0.616303	0.422992	0.04
H(46)	0.661174	0.567758	0.536584	0.034
H(48)	1.023582	0.535929	0.591685	0.036
H(49)	1.253121	0.558876	0.538477	0.045
H(50)	1.432254	0.763101	0.539584	0.048
H(51)	1.378391	0.941972	0.593896	0.039
H(52)	1.152949	0.91973	0.64707	0.029

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.016450 (12)	0.010793 (10)	0.018674 (12)	0.004080 (9)	0.003063 (9)	0.005350 (8)
S(2)	0.02909 (4)	0.01212 (3)	0.01727 (3)	0.00351 (3)	0.00259 (3)	0.00547 (2)
P(1)	0.010763 (10)	0.010258 (10)	0.009372 (9)	0.004294 (8)	0.002104 (7)	0.003417 (7)
P(2)	0.015567 (12)	0.010454 (10)	0.008939 (9)	0.004905 (9)	0.001728 (8)	0.002361 (7)
C(1)	0.01114 (3)	0.01384 (4)	0.00902 (3)	0.00592 (3)	0.00182 (3)	0.00344 (3)
C(2)	0.01149 (3)	0.01430 (3)	0.00965 (3)	0.00642 (3)	0.00184 (3)	0.00307 (3)
C(3)	0.01438 (4)	0.01696 (4)	0.01110 (3)	0.00893 (3)	0.00176 (3)	0.00382 (3)
C(4)	0.01481 (4)	0.02127 (5)	0.01388 (4)	0.01054 (4)	0.00118 (3)	0.00436 (3)
C(5)	0.01320 (4)	0.02741 (6)	0.01789 (4)	0.01097 (4)	0.00313 (3)	0.00761 (4)
C(6)	0.01233 (4)	0.02415 (5)	0.01604 (4)	0.00893 (4)	0.00424 (3)	0.00727 (4)
C(7)	0.01120 (3)	0.01621 (4)	0.01102 (3)	0.00621 (3)	0.00248 (3)	0.00403 (3)
C(8)	0.01209 (4)	0.01669 (4)	0.01142 (3)	0.00593 (3)	0.00316 (3)	0.00532 (3)
C(9)	0.01169 (3)	0.01319 (3)	0.00971 (3)	0.00488 (3)	0.00171 (3)	0.00393 (3)
C(10)	0.01443 (4)	0.01695 (4)	0.01163 (3)	0.00598 (3)	0.00162 (3)	0.00643 (3)
C(11)	0.01475 (4)	0.02228 (5)	0.01404 (4)	0.00741 (4)	0.00038 (3)	0.00826 (4)
C(12)	0.01285 (4)	0.02952 (6)	0.01547 (4)	0.00926 (4)	0.00135 (3)	0.01001 (4)
C(13)	0.01112 (4)	0.02351 (5)	0.01252 (4)	0.00727 (4)	0.00181 (3)	0.00719 (3)
C(14)	0.01056 (3)	0.01340 (3)	0.00942 (3)	0.00493 (3)	0.00129 (3)	0.00358 (3)
C(15)	0.01150 (3)	0.01166 (3)	0.01221 (3)	0.00496 (3)	0.00315 (3)	0.00428 (3)
C(16)	0.01416 (4)	0.01304 (4)	0.01997 (4)	0.00626 (3)	0.00558 (3)	0.00745 (3)
C(17)	0.01645 (4)	0.01396 (4)	0.02231 (5)	0.00794 (4)	0.00455 (4)	0.00704 (3)
C(18)	0.01541 (4)	0.01647 (4)	0.02091 (5)	0.00906 (4)	0.00383 (4)	0.00525 (4)
C(19)	0.01238 (4)	0.01614 (4)	0.01829 (4)	0.00651 (3)	0.00416 (3)	0.00442 (3)
C(20)	0.01159 (3)	0.01287 (3)	0.01422 (4)	0.00453 (3)	0.00345 (3)	0.00394 (3)
C(21)	0.01278 (3)	0.01218 (3)	0.00934 (3)	0.00494 (3)	0.00142 (3)	0.00347 (3)
C(22)	0.01744 (4)	0.01711 (4)	0.01081 (3)	0.00639 (4)	0.00104 (3)	0.00578 (3)
C(23)	0.02186 (5)	0.02250 (5)	0.01247 (4)	0.00763 (4)	−0.00262 (4)	0.00528 (4)
C(24)	0.01868 (5)	0.02055 (5)	0.01537 (4)	0.00589 (4)	−0.00411 (4)	0.00171 (4)
C(25)	0.01553 (4)	0.01538 (4)	0.01639 (4)	0.00299 (4)	−0.00142 (3)	0.00253 (3)
C(26)	0.01466 (4)	0.01315 (4)	0.01282 (4)	0.00309 (3)	0.00004 (3)	0.00438 (3)
C(27)	0.01287 (4)	0.01223 (3)	0.00912 (3)	0.00540 (3)	0.00172 (3)	0.00221 (3)
C(28)	0.01233 (3)	0.01218 (3)	0.00951 (3)	0.00504 (3)	0.00189 (3)	0.00234 (3)
C(29)	0.01502 (4)	0.01587 (4)	0.01129 (3)	0.00811 (3)	0.00213 (3)	0.00311 (3)
C(30)	0.01452 (4)	0.02070 (5)	0.01421 (4)	0.00891 (4)	0.00187 (3)	0.00430 (3)
C(31)	0.01326 (4)	0.02183 (5)	0.01538 (4)	0.00608 (4)	−0.00057 (3)	0.00219 (4)
C(32)	0.01375 (4)	0.01664 (4)	0.01367 (4)	0.00394 (3)	−0.00042 (3)	0.00025 (3)
C(33)	0.01250 (4)	0.01202 (3)	0.01101 (3)	0.00401 (3)	0.00155 (3)	0.00141 (3)
C(34)	0.01487 (4)	0.01189 (3)	0.01281 (4)	0.00517 (3)	0.00218 (3)	0.00089 (3)
C(35)	0.01445 (4)	0.01233 (3)	0.01198 (3)	0.00647 (3)	0.00318 (3)	0.00313 (3)
C(36)	0.01835 (4)	0.01657 (4)	0.01672 (4)	0.01042 (4)	0.00525 (3)	0.00456 (3)
C(37)	0.01784 (5)	0.02294 (5)	0.01906 (5)	0.01277 (4)	0.00556 (4)	0.00790 (4)
C(38)	0.01468 (4)	0.02475 (5)	0.01642 (4)	0.00983 (4)	0.00285 (3)	0.00709 (4)
C(39)	0.01331 (4)	0.01942 (4)	0.01254 (4)	0.00667 (4)	0.00144 (3)	0.00390 (3)
C(40)	0.01281 (4)	0.01303 (3)	0.01031 (3)	0.00575 (3)	0.00222 (3)	0.00332 (3)
C(41)	0.01580 (4)	0.01342 (4)	0.00983 (3)	0.00539 (3)	0.00054 (3)	0.00224 (3)
C(42)	0.01942 (5)	0.01475 (4)	0.01371 (4)	0.00607 (4)	−0.00056 (3)	0.00461 (3)
C(43)	0.02513 (6)	0.02014 (5)	0.01531 (4)	0.01098 (5)	0.00024 (4)	0.00667 (4)
C(44)	0.02625 (6)	0.02624 (6)	0.01343 (4)	0.01422 (5)	−0.00190 (4)	0.00397 (4)
C(45)	0.02270 (5)	0.02373 (5)	0.01438 (4)	0.00914 (5)	−0.00449 (4)	0.00047 (4)
C(46)	0.01876 (5)	0.01649 (4)	0.01298 (4)	0.00523 (4)	−0.00178 (3)	0.00073 (3)
C(47)	0.01864 (4)	0.01637 (4)	0.01046 (3)	0.00995 (4)	0.00323 (3)	0.00295 (3)
C(48)	0.02990 (7)	0.02247 (5)	0.01613 (4)	0.01809 (5)	0.00501 (4)	0.00305 (4)
C(49)	0.03453 (8)	0.03841 (9)	0.02218 (6)	0.02762 (8)	0.00819 (5)	0.00402 (6)
C(50)	0.02403 (6)	0.04719 (10)	0.02014 (5)	0.02213 (7)	0.00755 (5)	0.00614 (6)
C(51)	0.01682 (5)	0.03438 (7)	0.01863 (5)	0.01011 (5)	0.00530 (4)	0.00637 (5)
C(52)	0.01610 (4)	0.02006 (5)	0.01587 (4)	0.00760 (4)	0.00430 (3)	0.00428 (3)
H(3)	0.029967	0.034976	0.024815	0.015067	0.008271	0.014611
H(4)	0.035034	0.045959	0.030848	0.02614	0.002795	0.01579
H(5)	0.024323	0.053332	0.036818	0.023583	0.007411	0.013323
H(6)	0.027448	0.045879	0.027529	0.015216	0.011405	0.015348
H(8)	0.028329	0.044235	0.025541	0.014017	0.011231	0.017627
H(10)	0.031918	0.046286	0.02335	0.015633	0.008969	0.017141
H(11)	0.033925	0.053854	0.025754	0.020896	−0.001364	0.017754
H(12)	0.020075	0.050103	0.032297	0.015842	0.001071	0.013469
H(13)	0.022887	0.037039	0.025227	0.010331	0.007445	0.013686
H(16)	0.022581	0.026109	0.032067	0.008047	0.009676	0.011655
H(17)	0.036571	0.023219	0.040034	0.015396	0.011809	0.014037
H(18)	0.035244	0.036385	0.044385	0.024747	0.015051	0.012595
H(19)	0.024948	0.036326	0.040204	0.012268	0.015763	0.012214
H(20)	0.029852	0.021087	0.034263	0.007291	0.009499	0.009914
H(22)	0.034013	0.025692	0.026441	0.006888	0.003489	0.011527
H(23)	0.041846	0.042571	0.021685	0.015405	−0.003495	0.012446
H(24)	0.029554	0.044669	0.026833	0.006045	−0.009979	0.004713
H(25)	0.025405	0.030022	0.030266	−0.000676	−0.001216	0.008131
H(26)	0.028461	0.02915	0.021918	0.00751	0.000705	0.011315
H(29)	0.037061	0.028366	0.025938	0.017958	−0.000063	−0.000881
H(30)	0.036085	0.048155	0.03302	0.02929	0.000669	0.006549
H(31)	0.027486	0.050344	0.02888	0.015451	−0.007226	0.003236
H(32)	0.034181	0.029743	0.025123	0.009783	−0.002608	−0.003703
H(34)	0.036595	0.025598	0.025719	0.012569	−0.000384	−0.004691
H(36)	0.041097	0.03284	0.026924	0.020276	0.003251	−0.002008
H(37)	0.034806	0.054345	0.035871	0.031159	0.008363	0.007029
H(38)	0.021105	0.04978	0.033983	0.013443	−0.001027	0.006208
H(39)	0.027804	0.026679	0.026879	0.007633	−0.001078	−0.000835
H(42)	0.030564	0.023895	0.024999	0.005419	−0.001483	0.005133
H(43)	0.046554	0.030315	0.029402	0.014666	0.002165	0.014338
H(44)	0.049403	0.049638	0.024784	0.022437	−0.005888	0.012182
H(45)	0.040528	0.040663	0.027571	0.008058	−0.01168	0.000583
H(46)	0.040141	0.023328	0.031276	0.004533	−0.003325	0.005117
H(48)	0.04722	0.028303	0.034934	0.018347	0.005853	0.004274
H(49)	0.059525	0.054643	0.037823	0.042844	0.012135	0.002978
H(50)	0.038433	0.074995	0.040278	0.033931	0.01884	0.011813
H(51)	0.028982	0.046892	0.038487	0.010043	0.013579	0.012593
H(52)	0.031035	0.026324	0.03084	0.012374	0.008953	0.005899

Geometric parameters (Å, º)

S(1)—P(1)	1.9551	C(24)—H(24)	1.0830
S(2)—P(2)	1.9484	C(25)—C(26)	1.3903
P(1)—C(1)	1.8275	C(25)—H(25)	1.0830
P(1)—C(15)	1.8248	C(26)—H(26)	1.0830
P(1)—C(21)	1.8249	C(27)—C(28)	1.4243
P(2)—C(27)	1.8279	C(27)—C(40)	1.4242
P(2)—C(41)	1.8278	C(28)—C(29)	1.4371
P(2)—C(47)	1.8262	C(28)—C(33)	1.4407
C(1)—C(2)	1.4227	C(29)—C(30)	1.3716
C(1)—C(14)	1.4213	C(29)—H(29)	1.0830
C(2)—C(3)	1.4341	C(30)—C(31)	1.4238
C(2)—C(7)	1.4365	C(30)—H(30)	1.0830
C(3)—C(4)	1.3684	C(31)—C(32)	1.3682
C(3)—H(3)	1.0830	C(31)—H(31)	1.0830
C(4)—C(5)	1.4237	C(32)—C(33)	1.4313
C(4)—H(4)	1.0830	C(32)—H(32)	1.0830
C(5)—C(6)	1.3638	C(33)—C(34)	1.3988
C(5)—H(5)	1.0830	C(34)—C(35)	1.3960
C(6)—C(7)	1.4321	C(34)—H(34)	1.0830
C(6)—H(6)	1.0830	C(35)—C(36)	1.4315
C(7)—C(8)	1.3939	C(35)—C(40)	1.4392
C(8)—C(9)	1.3974	C(36)—C(37)	1.3663
C(8)—H(8)	1.0830	C(36)—H(36)	1.0830
C(9)—C(10)	1.4272	C(37)—C(38)	1.4249
C(9)—C(14)	1.4384	C(37)—H(37)	1.0830
C(10)—C(11)	1.3652	C(38)—C(39)	1.3728
C(10)—H(10)	1.0830	C(38)—H(38)	1.0830
C(11)—C(12)	1.4227	C(39)—C(40)	1.4343
C(11)—H(11)	1.0830	C(39)—H(39)	1.0830
C(12)—C(13)	1.3698	C(41)—C(42)	1.3984
C(12)—H(12)	1.0830	C(41)—C(46)	1.3969
C(13)—C(14)	1.4315	C(42)—C(43)	1.3929
C(13)—H(13)	1.0830	C(42)—H(42)	1.0830
C(15)—C(16)	1.4012	C(43)—C(44)	1.3919
C(15)—C(20)	1.3957	C(43)—H(43)	1.0830
C(16)—C(17)	1.3924	C(44)—C(45)	1.3930
C(16)—H(16)	1.0830	C(44)—H(44)	1.0830
C(17)—C(18)	1.3973	C(45)—C(46)	1.3952
C(17)—H(17)	1.0830	C(45)—H(45)	1.0830
C(18)—C(19)	1.3913	C(46)—H(46)	1.0830
C(18)—H(18)	1.0830	C(47)—C(48)	1.3948
C(19)—C(20)	1.3995	C(47)—C(52)	1.4001
C(19)—H(19)	1.0830	C(48)—C(49)	1.3955
C(20)—H(20)	1.0830	C(48)—H(48)	1.0830
C(21)—C(22)	1.3929	C(49)—C(50)	1.3911
C(21)—C(26)	1.3996	C(49)—H(49)	1.0830
C(22)—C(23)	1.3950	C(50)—C(51)	1.3951
C(22)—H(22)	1.0830	C(50)—H(50)	1.0830
C(23)—C(24)	1.3900	C(51)—C(52)	1.3911
C(23)—H(23)	1.0830	C(51)—H(51)	1.0830
C(24)—C(25)	1.3952	C(52)—H(52)	1.0830
S(1)—P(1)—C(1)	116.1797	C(24)—C(25)—C(26)	119.8400
S(1)—P(1)—C(15)	112.5186	C(24)—C(25)—H(25)	120.3935
S(1)—P(1)—C(21)	113.0524	C(26)—C(25)—H(25)	119.7655
C(1)—P(1)—C(15)	109.0070	C(21)—C(26)—C(25)	120.2146
C(1)—P(1)—C(21)	103.0856	C(21)—C(26)—H(26)	120.4918
C(15)—P(1)—C(21)	101.6525	C(25)—C(26)—H(26)	119.1887
S(2)—P(2)—C(27)	113.9409	P(2)—C(27)—C(28)	120.6123
S(2)—P(2)—C(41)	112.7946	P(2)—C(27)—C(40)	119.7347
S(2)—P(2)—C(47)	112.9195	C(28)—C(27)—C(40)	119.5474
C(27)—P(2)—C(41)	108.1285	C(27)—C(28)—C(29)	124.0100
C(27)—P(2)—C(47)	107.1138	C(27)—C(28)—C(33)	119.0158
C(41)—P(2)—C(47)	101.0009	C(29)—C(28)—C(33)	116.8169
P(1)—C(1)—C(2)	116.8131	C(28)—C(29)—C(30)	121.3205
P(1)—C(1)—C(14)	123.4411	C(28)—C(29)—H(29)	120.4996
C(2)—C(1)—C(14)	119.6461	C(30)—C(29)—H(29)	118.0541
C(1)—C(2)—C(3)	123.4650	C(29)—C(30)—C(31)	121.0495
C(1)—C(2)—C(7)	119.4473	C(29)—C(30)—H(30)	119.2186
C(3)—C(2)—C(7)	117.0801	C(31)—C(30)—H(30)	119.7189
C(2)—C(3)—C(4)	121.2317	C(30)—C(31)—C(32)	119.8079
C(2)—C(3)—H(3)	119.3839	C(30)—C(31)—H(31)	120.0968
C(4)—C(3)—H(3)	119.2992	C(32)—C(31)—H(31)	120.0590
C(3)—C(4)—C(5)	121.0533	C(31)—C(32)—C(33)	120.5383
C(3)—C(4)—H(4)	119.4285	C(31)—C(32)—H(32)	122.3293
C(5)—C(4)—H(4)	119.5075	C(33)—C(32)—H(32)	117.1078
C(4)—C(5)—C(6)	119.7239	C(28)—C(33)—C(32)	120.1912
C(4)—C(5)—H(5)	118.6318	C(28)—C(33)—C(34)	119.8623
C(6)—C(5)—H(5)	121.5153	C(32)—C(33)—C(34)	119.9127
C(5)—C(6)—C(7)	120.6808	C(33)—C(34)—C(35)	121.1863
C(5)—C(6)—H(6)	122.4985	C(33)—C(34)—H(34)	119.6417
C(7)—C(6)—H(6)	116.7651	C(35)—C(34)—H(34)	119.1157
C(2)—C(7)—C(6)	119.9445	C(34)—C(35)—C(36)	120.0983
C(2)—C(7)—C(8)	119.5073	C(34)—C(35)—C(40)	119.7668
C(6)—C(7)—C(8)	120.5398	C(36)—C(35)—C(40)	120.1031
C(7)—C(8)—C(9)	121.2518	C(35)—C(36)—C(37)	120.6798
C(7)—C(8)—H(8)	118.2554	C(35)—C(36)—H(36)	117.9989
C(9)—C(8)—H(8)	120.4321	C(37)—C(36)—H(36)	121.3019
C(8)—C(9)—C(10)	119.7900	C(36)—C(37)—C(38)	119.6690
C(8)—C(9)—C(14)	120.0573	C(36)—C(37)—H(37)	121.3396
C(10)—C(9)—C(14)	120.1349	C(38)—C(37)—H(37)	118.9675
C(9)—C(10)—C(11)	121.1169	C(37)—C(38)—C(39)	121.0995
C(9)—C(10)—H(10)	117.8169	C(37)—C(38)—H(38)	119.5893
C(11)—C(10)—H(10)	120.9816	C(39)—C(38)—H(38)	119.3012
C(10)—C(11)—C(12)	119.1626	C(38)—C(39)—C(40)	121.2295
C(10)—C(11)—H(11)	121.3031	C(38)—C(39)—H(39)	119.5169
C(12)—C(11)—H(11)	119.4174	C(40)—C(39)—H(39)	119.0275
C(11)—C(12)—C(13)	121.3417	C(27)—C(40)—C(35)	119.2670
C(11)—C(12)—H(12)	118.6985	C(27)—C(40)—C(39)	123.5811
C(13)—C(12)—H(12)	119.9007	C(35)—C(40)—C(39)	117.0050
C(12)—C(13)—C(14)	121.4163	P(2)—C(41)—C(42)	121.8119
C(12)—C(13)—H(13)	119.8361	P(2)—C(41)—C(46)	118.4609
C(14)—C(13)—H(13)	118.5672	C(42)—C(41)—C(46)	119.5471
C(1)—C(14)—C(9)	118.8845	C(41)—C(42)—C(43)	119.9441
C(1)—C(14)—C(13)	124.2476	C(41)—C(42)—H(42)	121.7012
C(9)—C(14)—C(13)	116.7816	C(43)—C(42)—H(42)	118.3498
P(1)—C(15)—C(16)	120.7787	C(42)—C(43)—C(44)	120.4373
P(1)—C(15)—C(20)	119.3915	C(42)—C(43)—H(43)	118.9635
C(16)—C(15)—C(20)	119.7558	C(44)—C(43)—H(43)	120.5981
C(15)—C(16)—C(17)	120.1231	C(43)—C(44)—C(45)	119.7714
C(15)—C(16)—H(16)	120.8846	C(43)—C(44)—H(44)	119.5221
C(17)—C(16)—H(16)	118.9722	C(45)—C(44)—H(44)	120.7053
C(16)—C(17)—C(18)	120.0365	C(44)—C(45)—C(46)	120.0428
C(16)—C(17)—H(17)	119.6040	C(44)—C(45)—H(45)	120.6389
C(18)—C(17)—H(17)	120.3595	C(46)—C(45)—H(45)	119.3137
C(17)—C(18)—C(19)	119.9719	C(41)—C(46)—C(45)	120.2400
C(17)—C(18)—H(18)	119.8801	C(41)—C(46)—H(46)	119.1035
C(19)—C(18)—H(18)	120.1399	C(45)—C(46)—H(46)	120.6562
C(18)—C(19)—C(20)	120.1680	P(2)—C(47)—C(48)	118.4454
C(18)—C(19)—H(19)	120.0961	P(2)—C(47)—C(52)	121.8926
C(20)—C(19)—H(19)	119.7354	C(48)—C(47)—C(52)	119.6243
C(15)—C(20)—C(19)	119.9287	C(47)—C(48)—C(49)	120.1380
C(15)—C(20)—H(20)	119.7172	C(47)—C(48)—H(48)	119.3046
C(19)—C(20)—H(20)	120.3535	C(49)—C(48)—H(48)	120.5572
P(1)—C(21)—C(22)	119.1242	C(48)—C(49)—C(50)	120.2552
P(1)—C(21)—C(26)	121.1833	C(48)—C(49)—H(49)	119.3871
C(22)—C(21)—C(26)	119.6784	C(50)—C(49)—H(49)	120.3540
C(21)—C(22)—C(23)	120.0518	C(49)—C(50)—C(51)	119.5972
C(21)—C(22)—H(22)	119.1520	C(49)—C(50)—H(50)	120.7216
C(23)—C(22)—H(22)	120.7533	C(51)—C(50)—H(50)	119.6811
C(22)—C(23)—C(24)	120.0571	C(50)—C(51)—C(52)	120.4705
C(22)—C(23)—H(23)	119.8484	C(50)—C(51)—H(51)	120.4863
C(24)—C(23)—H(23)	120.0882	C(52)—C(51)—H(51)	119.0422
C(23)—C(24)—C(25)	120.1274	C(47)—C(52)—C(51)	119.9141
C(23)—C(24)—H(24)	120.0804	C(47)—C(52)—H(52)	121.1268
C(25)—C(24)—H(24)	119.7881	C(51)—C(52)—H(52)	118.9126

(SPAnH_HARt)

Crystal data

C26H19PS	Z = 4
Mr = 394.44	F(000) = 824
Triclinic, P1	Dx = 1.327 Mg m^−3
a = 10.223 (2) Å	Cell parameters from 9960 reflections
b = 12.326 (2) Å	θ = 1.2–54.7°
c = 17.357 (3) Å	µ = 0.25 mm^−1
α = 101.55 (2)°	T = 100 K
β = 91.23 (2)°	Block, yellow
γ = 112.05 (2)°	0.22 × 0.19 × 0.11 mm
V = 1974.8 (7) Å^3

Data collection

Bruker Smart APEX II Ultra diffractometer	41917 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.023
Absorption correction: multi-scan SADABS-2016/2	θmax = 54.7°, θmin = 1.2°
Tmin = 0.946, Tmax = 0.973	h = −23→23
299913 measured reflections	k = −28→28
48281 independent reflections	l = −39→39

Refinement

Least-squares matrix: full	0 constraints
R[F^2 > 2σ(F^2)] = 0.018	All H-atom parameters refined
wR(F^2) = 0.016	Weighting scheme based on measured s.u.'s w = 1/σ(F)
S = 2.19	(Δ/σ)max = 0.005
43173 reflections	Δρmax = 0.18 e Å^−3
847 parameters	Δρmin = −0.15 e Å^−3
0 restraints

Special details

Refinement. . If constraints were applied they are defined by zero eigenvalues of the least-squares hessian, see the value of _refine_ls_SVD_threshold

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
P1	0.240529	0.387114	0.786501	0.009912
S1	0.338699	0.550008	0.771124	0.015051
C1	0.171003	0.374967	0.881941	0.011441
C2	0.039163	0.387547	0.891257	0.011972
C3	−0.021022	0.439062	0.840385	0.014271
H3	0.040028	0.478844	0.795117	0.036253
C4	−0.151142	0.444525	0.849793	0.016815
H4	−0.190959	0.486719	0.811566	0.036132
C5	−0.232159	0.398008	0.909852	0.019634
H5	−0.335999	0.403087	0.914768	0.046836
C6	−0.176454	0.353059	0.961961	0.017672
H6	−0.232223	0.322876	1.011511	0.037552
C7	−0.038884	0.349027	0.955325	0.012947
C8	0.021293	0.309852	1.011350	0.013572
H8	−0.040346	0.280745	1.060020	0.032814
C9	0.159525	0.313818	1.009063	0.011661
C10	0.224311	0.287360	1.072630	0.014478
H10	0.162776	0.264554	1.121876	0.035039
C11	0.361306	0.295529	1.073713	0.017182
H11	0.410959	0.278759	1.123466	0.040173
C12	0.440695	0.332305	1.010792	0.019427
H12	0.551833	0.343648	1.013568	0.045828
C13	0.381442	0.356701	0.948095	0.015868
H13	0.446905	0.389963	0.902773	0.038751
C14	0.237502	0.347343	0.943791	0.011302
C15	0.347445	0.296689	0.767154	0.011960
C16	0.295351	0.177728	0.775855	0.015911
H16	0.192970	0.139420	0.797973	0.035718
C17	0.375698	0.108226	0.757684	0.017732
H17	0.335574	0.017241	0.766244	0.037947
C18	0.507323	0.156322	0.729296	0.017788
H18	0.569962	0.102191	0.715426	0.037586
C19	0.558940	0.274181	0.720105	0.015765
H19	0.661369	0.312053	0.698280	0.036407
C20	0.479712	0.345013	0.739667	0.013059
H20	0.519982	0.438167	0.733760	0.030804
C21	0.084024	0.298636	0.715618	0.011615
C22	0.067406	0.337612	0.647451	0.015286
H22	0.149576	0.420082	0.637883	0.034192
C23	−0.054628	0.274505	0.594365	0.019132
H23	−0.068016	0.306377	0.541408	0.041755
C24	−0.159671	0.171974	0.609166	0.018374
H24	−0.256629	0.123662	0.568516	0.040116
C25	−0.141672	0.130939	0.676268	0.015960
H25	−0.222175	0.049643	0.687610	0.035412
C26	−0.020471	0.194215	0.729458	0.013706
H26	−0.009281	0.165207	0.783328	0.031339
P2	0.897024	0.702311	0.655761	0.011439
S2	0.789908	0.537197	0.663430	0.019006
C27	0.925917	0.813260	0.748513	0.011579
C28	1.048278	0.847119	0.802847	0.011515
C29	1.140687	0.782981	0.798694	0.014211
H29	1.117884	0.701381	0.753513	0.033167
C30	1.255449	0.818607	0.853838	0.016657
H30	1.319789	0.765517	0.849695	0.033582
C31	1.288770	0.922130	0.916388	0.017009
H31	1.381202	0.950217	0.958638	0.036622
C32	1.201622	0.984180	0.924266	0.014873
H32	1.222719	1.061652	0.972723	0.033274
C33	1.077494	0.946288	0.869803	0.012023
C34	0.981935	1.003087	0.883034	0.013366
H34	1.006107	1.079563	0.932577	0.032571
C35	0.852184	0.959288	0.836349	0.013108
C36	0.748745	1.009469	0.857096	0.017363
H36	0.777573	1.086212	0.906390	0.038616
C37	0.616420	0.960085	0.816455	0.020129
H37	0.537132	0.996817	0.833259	0.040000
C38	0.581211	0.857906	0.752558	0.018817
H38	0.473665	0.814672	0.722166	0.038614
C39	0.679976	0.810936	0.728846	0.015284
H39	0.647486	0.729656	0.681545	0.033442
C40	0.820915	0.860912	0.768814	0.012221
C41	0.815796	0.746850	0.579339	0.013204
C42	0.869487	0.864409	0.568397	0.016151
H42	0.953808	0.935277	0.609583	0.037850
C43	0.813165	0.891998	0.504641	0.020393
H43	0.856146	0.983121	0.496836	0.044037
C44	0.702686	0.803198	0.451813	0.022188
H44	0.659559	0.825720	0.401785	0.049001
C45	0.646968	0.686380	0.463323	0.020444
H45	0.560472	0.615769	0.422432	0.042239
C46	0.703464	0.658307	0.526916	0.016260
H46	0.662313	0.568418	0.537074	0.035095
C47	1.070864	0.724938	0.621474	0.015292
C48	1.100847	0.623938	0.591561	0.023000
H48	1.020317	0.534914	0.592629	0.050980
C49	1.230549	0.637060	0.562086	0.031758
H49	1.252784	0.558073	0.538432	0.076651
C50	1.330799	0.751157	0.562446	0.030580
H50	1.432083	0.762886	0.539222	0.060507
C51	1.300909	0.852257	0.592576	0.023409
H51	1.377842	0.941183	0.593771	0.043390
C52	1.171608	0.839563	0.621937	0.017507
H52	1.151037	0.918819	0.646862	0.034000

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
P1	0.010564	0.010022	0.009149	0.004199	0.002088	0.003372
S1	0.016229	0.010518	0.018406	0.003984	0.003057	0.005294
C1	0.011292	0.013842	0.009188	0.005813	0.001768	0.003417
C2	0.011654	0.014485	0.009775	0.006485	0.001776	0.003057
C3	0.014530	0.017024	0.011257	0.008901	0.001819	0.003791
H3	0.037015	0.044260	0.027483	0.028781	−0.000157	0.009463
C4	0.015007	0.021383	0.014055	0.010600	0.001104	0.004299
H4	0.030721	0.045819	0.031856	0.016480	0.004802	0.010103
C5	0.013512	0.027358	0.018032	0.011018	0.003058	0.007508
H5	0.021891	0.069008	0.049608	0.023159	0.009142	0.032003
C6	0.012618	0.024225	0.016171	0.008979	0.004172	0.007262
H6	0.026991	0.050652	0.035014	0.018658	0.010087	0.016427
C7	0.011348	0.016259	0.011234	0.006215	0.002415	0.003956
C8	0.012308	0.016773	0.011635	0.005991	0.003164	0.005341
H8	0.037845	0.035441	0.025156	0.014747	−0.003893	0.010262
C9	0.011884	0.013196	0.009902	0.004879	0.001639	0.003879
C10	0.014584	0.017001	0.011849	0.005997	0.001650	0.006386
H10	0.030829	0.045484	0.028805	0.018164	0.004832	0.011361
C11	0.014933	0.022377	0.014235	0.007427	0.000334	0.008204
H11	0.032756	0.054313	0.033450	0.018992	0.003484	0.019100
C12	0.012999	0.029642	0.015640	0.009292	0.001279	0.009966
H12	0.027802	0.071968	0.037713	0.022008	0.007556	0.030963
C13	0.011379	0.023600	0.012624	0.007272	0.001802	0.007215
H13	0.024742	0.059716	0.031794	0.016856	0.008243	0.022530
C14	0.010713	0.013599	0.009594	0.005023	0.001301	0.003556
C15	0.011720	0.011902	0.012260	0.005044	0.003071	0.004232
C16	0.014372	0.013305	0.020055	0.006384	0.005579	0.007506
H16	0.030851	0.023793	0.052509	0.011031	0.016711	0.017066
C17	0.016659	0.014154	0.022384	0.007983	0.004480	0.007085
H17	0.032173	0.030301	0.051368	0.015612	0.009330	0.010171
C18	0.015610	0.016655	0.021099	0.009196	0.003820	0.005272
H18	0.032118	0.036066	0.044573	0.017565	0.007695	0.008906
C19	0.012516	0.016415	0.018364	0.006537	0.004138	0.004436
H19	0.032200	0.032269	0.044751	0.013624	0.014737	0.014053
C20	0.011821	0.012971	0.014385	0.004596	0.003470	0.004012
H20	0.025757	0.027827	0.038828	0.007680	0.007215	0.009943
C21	0.012975	0.012346	0.009524	0.005106	0.001460	0.003473
C22	0.017655	0.017230	0.010973	0.006421	0.001049	0.005794
H22	0.034267	0.040847	0.027462	0.013255	−0.002354	0.013215
C23	0.022121	0.022647	0.012628	0.007790	−0.002565	0.005258
H23	0.045037	0.047043	0.033185	0.009049	−0.005057	0.017076
C24	0.018801	0.020763	0.015559	0.005980	−0.004061	0.001729
H24	0.042991	0.041350	0.036006	0.011631	−0.010478	0.008163
C25	0.015788	0.015528	0.016565	0.003138	−0.001347	0.002531
H25	0.031556	0.033533	0.041148	−0.000803	−0.004740	0.011507
C26	0.014868	0.013293	0.012957	0.003223	0.000067	0.004349
H26	0.028766	0.031630	0.033621	0.001366	0.001183	0.012743
P2	0.015391	0.010214	0.008713	0.004809	0.001700	0.002301
S2	0.028344	0.011755	0.016918	0.003281	0.002581	0.005348
C27	0.013128	0.012361	0.009247	0.005409	0.001783	0.002359
C28	0.012514	0.012331	0.009700	0.005123	0.001982	0.002413
C29	0.015236	0.016012	0.011386	0.008070	0.002146	0.003153
H29	0.041139	0.032889	0.025472	0.021316	−0.000949	0.005475
C30	0.014628	0.020913	0.014429	0.008933	0.001920	0.004440
H30	0.029310	0.036019	0.035416	0.011637	−0.000813	0.004775
C31	0.013414	0.022062	0.015552	0.006190	−0.000476	0.002387
H31	0.027424	0.043638	0.038806	0.013956	−0.007905	0.002933
C32	0.013948	0.016801	0.013869	0.004050	−0.000304	0.000383
H32	0.031247	0.036351	0.032223	0.010518	−0.001514	−0.004624
C33	0.012647	0.012201	0.011220	0.004017	0.001620	0.001610
C34	0.015099	0.011981	0.013016	0.005242	0.002167	0.000944
H34	0.028835	0.034168	0.034709	0.013382	0.001463	−0.001814
C35	0.014627	0.012496	0.012203	0.006502	0.003291	0.003320
C36	0.018536	0.016718	0.016835	0.010391	0.005211	0.004627
H36	0.037548	0.037751	0.040549	0.019093	0.007973	0.006286
C37	0.018055	0.023106	0.019225	0.012794	0.005613	0.008041
H37	0.035032	0.046099	0.038869	0.024008	0.008102	0.011309
C38	0.014819	0.024976	0.016657	0.009921	0.002913	0.007230
H38	0.029503	0.052161	0.034179	0.019165	0.002420	0.009783
C39	0.013627	0.019544	0.012680	0.006801	0.001562	0.004000
H39	0.021882	0.043805	0.034639	0.013360	0.001389	0.005171
C40	0.013023	0.013249	0.010391	0.005810	0.002223	0.003383
C41	0.015942	0.013708	0.009963	0.005513	0.000685	0.002284
C42	0.019598	0.014962	0.013894	0.006193	−0.000479	0.004623
H42	0.046998	0.030415	0.036136	0.015152	−0.002634	0.012528
C43	0.025348	0.020318	0.015513	0.011122	0.000365	0.006706
H43	0.053113	0.039480	0.039519	0.014875	−0.004217	0.020021
C44	0.026472	0.026496	0.013595	0.014380	−0.001846	0.004005
H44	0.057092	0.054337	0.035572	0.024280	−0.009595	0.009685
C45	0.022846	0.023992	0.014495	0.009241	−0.004424	0.000473
H45	0.053959	0.041270	0.031489	0.008432	−0.014111	0.006009
C46	0.018997	0.016624	0.013160	0.005317	−0.001735	0.000777
H46	0.038986	0.028893	0.037407	0.008978	−0.004538	0.005210
C47	0.018803	0.016604	0.010469	0.009976	0.003189	0.002958
C48	0.030128	0.022633	0.016240	0.018132	0.005073	0.003123
H48	0.069364	0.032090	0.051486	0.030689	0.014600	0.006342
C49	0.034584	0.038437	0.022254	0.027501	0.008069	0.004031
H49	0.086451	0.077451	0.066050	0.066870	0.029125	0.010695
C50	0.024220	0.047219	0.020301	0.022172	0.007584	0.006181
H50	0.046837	0.075422	0.059263	0.033527	0.021600	0.021158
C51	0.016991	0.034495	0.018741	0.010030	0.005203	0.006453
H51	0.031754	0.055367	0.043049	0.017199	0.009434	0.008583
C52	0.016241	0.020307	0.015971	0.007680	0.004287	0.004312
H52	0.026615	0.029964	0.045421	0.004460	0.011769	0.007771

(SPAnH_Neutron)

Crystal data

C26H19PS	Z = 4
Mr = 394.44	F(000) = 824
Triclinic, P1	Dx = 1.327 Mg m^−3
a = 10.223 (2) Å	Cell parameters from 9960 reflections
b = 12.326 (2) Å	θ = 1.2–54.7°
c = 17.357 (3) Å	µ = 0.25 mm^−1
α = 101.55 (2)°	T = 100 K
β = 91.23 (2)°	Block, yellow
γ = 112.05 (2)°	0.22 × 0.19 × 0.11 mm
V = 1974.8 (7) Å^3

Data collection

Bruker Smart APEX II Ultra diffractometer	41917 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.023
Absorption correction: multi-scan SADABS-2016/2	θmax = 54.7°, θmin = 1.2°
Tmin = 0.946, Tmax = 0.973	h = −23→23
299913 measured reflections	k = −28→28
48281 independent reflections	l = −39→39

Refinement

Refinement on F^2	816 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.014	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.022	(Δ/σ)max = 0.001
S = 1.56	Δρmax = 0.20 e Å^−3
41640 reflections	Δρmin = −0.20 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.338711 (8)	0.550028 (7)	0.771169 (5)	0.015
S(2)	0.790619 (10)	0.537314 (7)	0.663487 (5)	0.021
P(1)	0.240530 (3)	0.387120 (3)	0.786503 (2)	0.01
P(2)	0.897287 (8)	0.702384 (6)	0.655782 (4)	0.012
C(1)	0.171020 (11)	0.374959 (10)	0.881911 (6)	0.011
C(2)	0.039149 (12)	0.387531 (10)	0.891255 (6)	0.011
C(3)	−0.021016 (13)	0.439070 (11)	0.840370 (6)	0.013
C(4)	−0.151139 (14)	0.444526 (12)	0.849778 (7)	0.016
C(5)	−0.23241 (3)	0.39754 (3)	0.909773 (18)	0.018
C(6)	−0.176485 (13)	0.353051 (13)	0.961978 (8)	0.016
C(7)	−0.038895 (12)	0.349042 (11)	0.955327 (6)	0.012
C(8)	0.021304 (12)	0.309865 (11)	1.011353 (7)	0.013
C(9)	0.159550 (12)	0.313815 (10)	1.009075 (6)	0.011
C(10)	0.224312 (13)	0.287354 (11)	1.072641 (7)	0.014
C(11)	0.361304 (14)	0.295536 (13)	1.073724 (7)	0.016
C(12)	0.44078 (3)	0.33228 (3)	1.010645 (18)	0.018
C(13)	0.381478 (12)	0.356715 (12)	0.948084 (7)	0.015
C(14)	0.237514 (11)	0.347349 (10)	0.943789 (6)	0.011
C(15)	0.347441 (12)	0.296698 (10)	0.767150 (6)	0.011
C(16)	0.295337 (13)	0.177707 (11)	0.775858 (8)	0.015
C(17)	0.375680 (14)	0.108212 (11)	0.757685 (8)	0.016
C(18)	0.507357 (14)	0.156323 (12)	0.729295 (8)	0.017
C(19)	0.558964 (13)	0.274192 (12)	0.720095 (7)	0.015
C(20)	0.479731 (12)	0.345050 (10)	0.739673 (7)	0.013
C(21)	0.084035 (12)	0.298658 (10)	0.715629 (6)	0.011
C(22)	0.067442 (14)	0.337645 (12)	0.647453 (7)	0.015
C(23)	−0.054621 (16)	0.274528 (14)	0.594361 (8)	0.019
C(24)	−0.15935 (3)	0.17207 (3)	0.609066 (18)	0.019
C(25)	−0.141679 (14)	0.130927 (12)	0.676270 (8)	0.017
C(26)	−0.020478 (13)	0.194200 (11)	0.729466 (7)	0.014
C(27)	0.925902 (12)	0.813232 (10)	0.748495 (6)	0.011
C(28)	1.048265 (12)	0.847136 (10)	0.802854 (6)	0.011
C(29)	1.140706 (13)	0.782958 (11)	0.798686 (7)	0.013
C(30)	1.255452 (14)	0.818603 (13)	0.853823 (7)	0.016
C(31)	1.288816 (14)	0.922165 (13)	0.916395 (8)	0.017
C(32)	1.201645 (13)	0.984188 (12)	0.924286 (7)	0.016
C(33)	1.077532 (12)	0.946291 (10)	0.869814 (6)	0.012
C(34)	0.981936 (13)	1.003079 (10)	0.883040 (7)	0.013
C(35)	0.852176 (13)	0.959296 (10)	0.836354 (7)	0.012
C(36)	0.748732 (15)	1.009493 (12)	0.857105 (8)	0.016
C(37)	0.616414 (15)	0.960099 (14)	0.816460 (8)	0.018
C(38)	0.581201 (14)	0.857874 (14)	0.752545 (8)	0.018
C(39)	0.679938 (13)	0.810907 (12)	0.728820 (7)	0.015
C(40)	0.820902 (12)	0.860896 (10)	0.768805 (6)	0.012
C(41)	0.815810 (13)	0.746839 (10)	0.579337 (6)	0.013
C(42)	0.869502 (15)	0.864431 (12)	0.568404 (7)	0.016
C(43)	0.81295 (4)	0.89185 (3)	0.504652 (18)	0.019
C(44)	0.70260 (4)	0.80308 (3)	0.451916 (18)	0.021
C(45)	0.64720 (4)	0.68639 (3)	0.463448 (18)	0.021
C(46)	0.70364 (3)	0.65819 (3)	0.526985 (17)	0.017
C(47)	1.07130 (3)	0.72516 (3)	0.621509 (15)	0.014
C(48)	1.10160 (4)	0.62439 (3)	0.591598 (18)	0.021
C(49)	1.23142 (4)	0.63786 (4)	0.56214 (2)	0.028
C(50)	1.33138 (4)	0.75184 (4)	0.56244 (2)	0.028
C(51)	1.30124 (3)	0.85266 (4)	0.592615 (19)	0.023
C(52)	1.17196 (3)	0.83986 (3)	0.621981 (17)	0.017
H(3)	0.039943	0.478841	0.795576	0.029
H(4)	−0.192229	0.487164	0.811566	0.031
H(5)	−0.335182	0.40387	0.91516	0.041
H(6)	−0.230658	0.322888	1.011489	0.035
H(8)	−0.040497	0.279701	1.059061	0.03
H(10)	0.163419	0.265242	1.121492	0.032
H(11)	0.412444	0.279984	1.123382	0.035
H(12)	0.552125	0.344932	1.014051	0.041
H(13)	0.446032	0.390517	0.903327	0.035
H(16)	0.19375	0.138996	0.798275	0.035
H(17)	0.334867	0.01596	0.765926	0.035
H(18)	0.570043	0.101881	0.715429	0.037
H(19)	0.661086	0.31174	0.697969	0.033
H(20)	0.520652	0.437813	0.733301	0.028
H(22)	0.147984	0.418956	0.637467	0.033
H(23)	−0.068333	0.30637	0.541969	0.041
H(24)	−0.255561	0.124503	0.568698	0.042
H(25)	−0.221425	0.049692	0.687191	0.036
H(26)	−0.010964	0.165008	0.783349	0.033
H(29)	1.117332	0.700931	0.753797	0.03
H(30)	1.320266	0.765532	0.850156	0.033
H(31)	1.381549	0.950208	0.959165	0.037
H(32)	1.220848	1.061784	0.972439	0.033
H(34)	1.00678	1.080933	0.932357	0.03
H(36)	0.777844	1.086706	0.907175	0.033
H(37)	0.535848	0.995808	0.832959	0.037
H(38)	0.474348	0.815109	0.722744	0.037
H(39)	0.648681	0.729977	0.682669	0.033
H(42)	0.954144	0.936482	0.609078	0.035
H(43)	0.856005	0.983906	0.49724	0.043
H(44)	0.660012	0.825861	0.402333	0.042
H(45)	0.561392	0.61662	0.423175	0.04
H(46)	0.661072	0.56755	0.536682	0.035
H(48)	1.023603	0.53593	0.591709	0.039
H(49)	1.253307	0.55843	0.538318	0.056
H(50)	1.43293	0.763222	0.539546	0.055
H(51)	1.378564	0.942146	0.593842	0.044
H(52)	1.152745	0.920022	0.647061	0.034

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.016450 (12)	0.010793 (10)	0.018673 (12)	0.004081 (9)	0.003064 (9)	0.005350 (8)
S(2)	0.02909 (4)	0.01212 (3)	0.01726 (3)	0.00352 (3)	0.00259 (3)	0.00547 (2)
P(1)	0.010762 (10)	0.010257 (9)	0.009370 (9)	0.004294 (8)	0.002103 (7)	0.003417 (7)
P(2)	0.015565 (12)	0.010454 (10)	0.008939 (9)	0.004905 (9)	0.001727 (8)	0.002361 (7)
C(1)	0.01114 (3)	0.01384 (4)	0.00902 (3)	0.00592 (3)	0.00182 (2)	0.00343 (3)
C(2)	0.01149 (3)	0.01429 (3)	0.00965 (3)	0.00641 (3)	0.00184 (3)	0.00307 (3)
C(3)	0.01438 (4)	0.01697 (4)	0.01110 (3)	0.00893 (3)	0.00175 (3)	0.00382 (3)
C(4)	0.01481 (4)	0.02127 (5)	0.01388 (4)	0.01054 (4)	0.00119 (3)	0.00436 (3)
C(5)	0.01322 (4)	0.02739 (6)	0.01787 (4)	0.01096 (4)	0.00312 (3)	0.00761 (4)
C(6)	0.01232 (4)	0.02414 (5)	0.01604 (4)	0.00893 (4)	0.00422 (3)	0.00725 (4)
C(7)	0.01121 (3)	0.01621 (4)	0.01103 (3)	0.00621 (3)	0.00248 (3)	0.00403 (3)
C(8)	0.01208 (3)	0.01669 (4)	0.01143 (3)	0.00593 (3)	0.00315 (3)	0.00531 (3)
C(9)	0.01169 (3)	0.01319 (3)	0.00971 (3)	0.00488 (3)	0.00171 (3)	0.00392 (3)
C(10)	0.01442 (4)	0.01695 (4)	0.01164 (3)	0.00598 (3)	0.00161 (3)	0.00642 (3)
C(11)	0.01474 (4)	0.02228 (5)	0.01404 (4)	0.00740 (4)	0.00040 (3)	0.00826 (4)
C(12)	0.01287 (4)	0.02952 (6)	0.01544 (4)	0.00926 (4)	0.00134 (3)	0.01001 (4)
C(13)	0.01111 (3)	0.02350 (5)	0.01253 (4)	0.00727 (4)	0.00180 (3)	0.00718 (3)
C(14)	0.01055 (3)	0.01339 (3)	0.00942 (3)	0.00493 (3)	0.00129 (3)	0.00358 (3)
C(15)	0.01150 (3)	0.01166 (3)	0.01221 (3)	0.00496 (3)	0.00315 (3)	0.00428 (3)
C(16)	0.01416 (4)	0.01304 (4)	0.01996 (4)	0.00627 (3)	0.00558 (3)	0.00744 (3)
C(17)	0.01644 (4)	0.01396 (4)	0.02230 (5)	0.00794 (4)	0.00456 (4)	0.00704 (3)
C(18)	0.01540 (4)	0.01646 (4)	0.02092 (5)	0.00906 (4)	0.00384 (3)	0.00526 (4)
C(19)	0.01237 (4)	0.01612 (4)	0.01831 (4)	0.00650 (3)	0.00417 (3)	0.00442 (3)
C(20)	0.01159 (3)	0.01286 (3)	0.01423 (4)	0.00453 (3)	0.00346 (3)	0.00394 (3)
C(21)	0.01279 (3)	0.01217 (3)	0.00934 (3)	0.00494 (3)	0.00142 (3)	0.00348 (3)
C(22)	0.01744 (4)	0.01711 (4)	0.01081 (3)	0.00638 (4)	0.00103 (3)	0.00577 (3)
C(23)	0.02184 (5)	0.02249 (5)	0.01247 (4)	0.00762 (4)	−0.00263 (4)	0.00528 (4)
C(24)	0.01867 (5)	0.02055 (5)	0.01537 (4)	0.00588 (4)	−0.00411 (4)	0.00172 (4)
C(25)	0.01553 (4)	0.01538 (4)	0.01638 (4)	0.00298 (4)	−0.00143 (3)	0.00253 (3)
C(26)	0.01465 (4)	0.01315 (4)	0.01281 (4)	0.00309 (3)	0.00004 (3)	0.00438 (3)
C(27)	0.01287 (4)	0.01223 (3)	0.00912 (3)	0.00540 (3)	0.00172 (3)	0.00222 (3)
C(28)	0.01233 (3)	0.01218 (3)	0.00951 (3)	0.00503 (3)	0.00189 (3)	0.00234 (3)
C(29)	0.01501 (4)	0.01587 (4)	0.01130 (3)	0.00812 (3)	0.00213 (3)	0.00312 (3)
C(30)	0.01451 (4)	0.02069 (5)	0.01419 (4)	0.00889 (4)	0.00186 (3)	0.00428 (3)
C(31)	0.01327 (4)	0.02182 (5)	0.01538 (4)	0.00608 (4)	−0.00056 (3)	0.00219 (4)
C(32)	0.01374 (4)	0.01664 (4)	0.01368 (4)	0.00394 (3)	−0.00042 (3)	0.00026 (3)
C(33)	0.01250 (3)	0.01202 (3)	0.01101 (3)	0.00401 (3)	0.00155 (3)	0.00141 (3)
C(34)	0.01485 (4)	0.01189 (3)	0.01282 (4)	0.00517 (3)	0.00218 (3)	0.00090 (3)
C(35)	0.01445 (4)	0.01232 (3)	0.01198 (3)	0.00647 (3)	0.00318 (3)	0.00313 (3)
C(36)	0.01834 (4)	0.01657 (4)	0.01673 (4)	0.01042 (4)	0.00525 (3)	0.00457 (3)
C(37)	0.01785 (5)	0.02293 (5)	0.01905 (5)	0.01275 (4)	0.00555 (4)	0.00788 (4)
C(38)	0.01469 (4)	0.02475 (5)	0.01642 (4)	0.00985 (4)	0.00286 (3)	0.00708 (4)
C(39)	0.01330 (4)	0.01943 (4)	0.01255 (4)	0.00668 (4)	0.00144 (3)	0.00391 (3)
C(40)	0.01281 (4)	0.01303 (3)	0.01031 (3)	0.00575 (3)	0.00221 (3)	0.00332 (3)
C(41)	0.01579 (4)	0.01341 (4)	0.00983 (3)	0.00538 (3)	0.00054 (3)	0.00224 (3)
C(42)	0.01943 (5)	0.01476 (4)	0.01370 (4)	0.00607 (4)	−0.00056 (3)	0.00462 (3)
C(43)	0.02512 (6)	0.02012 (5)	0.01531 (4)	0.01097 (4)	0.00023 (4)	0.00665 (4)
C(44)	0.02623 (6)	0.02621 (6)	0.01343 (4)	0.01419 (5)	−0.00191 (4)	0.00396 (4)
C(45)	0.02271 (5)	0.02372 (5)	0.01439 (4)	0.00912 (5)	−0.00450 (4)	0.00046 (4)
C(46)	0.01878 (5)	0.01648 (4)	0.01297 (4)	0.00523 (4)	−0.00178 (3)	0.00074 (3)
C(47)	0.01864 (4)	0.01635 (4)	0.01047 (3)	0.00995 (4)	0.00323 (3)	0.00295 (3)
C(48)	0.02989 (6)	0.02247 (5)	0.01613 (4)	0.01809 (5)	0.00502 (4)	0.00306 (4)
C(49)	0.03451 (8)	0.03839 (9)	0.02217 (6)	0.02759 (8)	0.00818 (5)	0.00402 (6)
C(50)	0.02403 (6)	0.04713 (10)	0.02014 (5)	0.02210 (7)	0.00755 (5)	0.00614 (6)
C(51)	0.01681 (5)	0.03436 (7)	0.01864 (5)	0.01011 (5)	0.00530 (4)	0.00636 (5)
C(52)	0.01609 (4)	0.02006 (5)	0.01587 (4)	0.00760 (4)	0.00431 (3)	0.00429 (3)
H(3)	0.03459	0.036573	0.025412	0.01959	0.009594	0.015894
H(4)	0.032233	0.041883	0.029648	0.02251	0.004545	0.016857
H(5)	0.026225	0.067906	0.045711	0.029021	0.0129	0.026247
H(6)	0.027232	0.054187	0.033594	0.019591	0.014559	0.022798
H(8)	0.026587	0.041752	0.026705	0.014926	0.010925	0.017441
H(10)	0.031698	0.044752	0.024776	0.013431	0.008801	0.018666
H(11)	0.032516	0.055839	0.026344	0.021394	0.000607	0.01973
H(12)	0.021643	0.071205	0.038046	0.020717	0.005192	0.026604
H(13)	0.02187	0.062449	0.025705	0.016066	0.007651	0.022495
H(16)	0.027695	0.030321	0.053115	0.012155	0.018729	0.021646
H(17)	0.034461	0.025466	0.052604	0.014446	0.012417	0.018406
H(18)	0.031405	0.032976	0.05499	0.020835	0.011658	0.012483
H(19)	0.023754	0.031628	0.047596	0.011566	0.014435	0.011984
H(20)	0.026145	0.021175	0.037428	0.007294	0.009459	0.009143
H(22)	0.033855	0.032909	0.028406	0.003722	−0.000421	0.016274
H(23)	0.046326	0.04976	0.027777	0.014123	−0.005816	0.018842
H(24)	0.034438	0.043857	0.034781	0.004518	−0.013685	0.004513
H(25)	0.030144	0.029357	0.036091	−0.002635	−0.004906	0.010362
H(26)	0.034831	0.034911	0.024897	0.002939	−0.002695	0.016774
H(29)	0.035792	0.028764	0.025929	0.018697	−0.001309	−0.001318
H(30)	0.030442	0.040466	0.036024	0.022697	0.001477	0.007545
H(31)	0.026411	0.047461	0.030663	0.012771	−0.009081	−0.000207
H(32)	0.030816	0.031994	0.028818	0.010859	−0.006306	−0.006477
H(34)	0.034447	0.025641	0.026203	0.012982	0.00036	−0.004185
H(36)	0.035911	0.030406	0.035334	0.019283	0.005299	−0.00145
H(37)	0.033227	0.046098	0.042136	0.027167	0.008232	0.008871
H(38)	0.022676	0.048546	0.03639	0.01448	−0.001941	0.00441
H(39)	0.028517	0.035381	0.027571	0.011067	−0.001392	−0.004105
H(42)	0.038304	0.023407	0.034295	0.003473	−0.004355	0.005109
H(43)	0.045004	0.036597	0.035657	0.00734	−0.017113	−0.00001
H(44)	0.052289	0.046004	0.029453	0.021074	−0.008255	0.011143
H(45)	0.051733	0.02773	0.040192	0.01146	−0.003003	0.015368
H(46)	0.035998	0.026512	0.034444	0.004203	−0.009962	0.006795
H(48)	0.052042	0.025837	0.042577	0.020135	0.011708	0.006349
H(49)	0.065947	0.057318	0.062007	0.045359	0.02026	0.007058
H(50)	0.038724	0.08531	0.052056	0.034712	0.020871	0.014742
H(51)	0.028309	0.048332	0.04897	0.006757	0.012868	0.009404
H(52)	0.03238	0.025465	0.045669	0.012363	0.011472	0.006685

Geometric parameters (Å, º)

S(1)—P(1)	1.9551 (1)	C(24)—H(24)	1.0840 (3)
S(2)—P(2)	1.9484 (1)	C(25)—C(26)	1.3903 (2)
P(1)—C(1)	1.8275 (1)	C(25)—H(25)	1.0830 (1)
P(1)—C(15)	1.8248 (1)	C(26)—H(26)	1.0820 (1)
P(1)—C(21)	1.8249 (1)	C(27)—C(28)	1.4243 (2)
P(2)—C(27)	1.8279 (1)	C(27)—C(40)	1.4242 (2)
P(2)—C(41)	1.8278 (1)	C(28)—C(29)	1.4372 (2)
P(2)—C(47)	1.8261 (3)	C(28)—C(33)	1.4407 (1)
C(1)—C(2)	1.4226 (1)	C(29)—C(30)	1.3716 (2)
C(1)—C(14)	1.4213 (1)	C(29)—H(29)	1.0870 (1)
C(2)—C(3)	1.4341 (2)	C(30)—C(31)	1.4239 (2)
C(2)—C(7)	1.4365 (1)	C(30)—H(30)	1.0870 (1)
C(3)—C(4)	1.3685 (2)	C(31)—C(32)	1.3683 (2)
C(3)—H(3)	1.0850 (1)	C(31)—H(31)	1.0910 (1)
C(4)—C(5)	1.4239 (3)	C(32)—C(33)	1.4313 (1)
C(4)—H(4)	1.0890 (1)	C(32)—H(32)	1.0880 (1)
C(5)—C(6)	1.3641 (3)	C(33)—C(34)	1.3988 (2)
C(5)—H(5)	1.0870 (3)	C(34)—C(35)	1.3960 (2)
C(6)—C(7)	1.4322 (2)	C(34)—H(34)	1.0940 (1)
C(6)—H(6)	1.0850 (1)	C(35)—C(36)	1.4315 (2)
C(7)—C(8)	1.3939 (2)	C(35)—C(40)	1.4392 (2)
C(8)—C(9)	1.3974 (2)	C(36)—C(37)	1.3663 (2)
C(8)—H(8)	1.0920 (1)	C(36)—H(36)	1.0930 (1)
C(9)—C(10)	1.4272 (2)	C(37)—C(38)	1.4250 (2)
C(9)—C(14)	1.4385 (1)	C(37)—H(37)	1.0890 (1)
C(10)—C(11)	1.3653 (2)	C(38)—C(39)	1.3728 (2)
C(10)—H(10)	1.0810 (1)	C(38)—H(38)	1.0830 (1)
C(11)—C(12)	1.4228 (3)	C(39)—C(40)	1.4343 (2)
C(11)—H(11)	1.0840 (1)	C(39)—H(39)	1.0810 (1)
C(12)—C(13)	1.3701 (3)	C(41)—C(42)	1.3984 (2)
C(12)—H(12)	1.0880 (3)	C(41)—C(46)	1.3969 (3)
C(13)—C(14)	1.4315 (2)	C(42)—C(43)	1.3935 (3)
C(13)—H(13)	1.0760 (1)	C(42)—H(42)	1.0870 (1)
C(15)—C(16)	1.4012 (2)	C(43)—C(44)	1.3912 (5)
C(15)—C(20)	1.3957 (1)	C(43)—H(43)	1.0880 (3)
C(16)—C(17)	1.3925 (2)	C(44)—C(45)	1.3921 (5)
C(16)—H(16)	1.0850 (1)	C(44)—H(44)	1.0870 (3)
C(17)—C(18)	1.3974 (2)	C(45)—C(46)	1.3952 (4)
C(17)—H(17)	1.0950 (1)	C(45)—H(45)	1.0790 (3)
C(18)—C(19)	1.3913 (2)	C(46)—H(46)	1.0860 (3)
C(18)—H(18)	1.0880 (1)	C(47)—C(48)	1.3949 (4)
C(19)—C(20)	1.3995 (2)	C(47)—C(52)	1.4001 (4)
C(19)—H(19)	1.0850 (1)	C(48)—C(49)	1.3957 (5)
C(20)—H(20)	1.0900 (1)	C(48)—H(48)	1.0830 (4)
C(21)—C(22)	1.3929 (1)	C(49)—C(50)	1.3918 (6)
C(21)—C(26)	1.3996 (2)	C(49)—H(49)	1.0890 (4)
C(22)—C(23)	1.3951 (2)	C(50)—C(51)	1.3955 (5)
C(22)—H(22)	1.0810 (1)	C(50)—H(50)	1.0890 (4)
C(23)—C(24)	1.3899 (4)	C(51)—C(52)	1.3914 (4)
C(23)—H(23)	1.0860 (1)	C(51)—H(51)	1.0850 (4)
C(24)—C(25)	1.3954 (3)	C(52)—H(52)	1.0870 (3)
S(1)—P(1)—C(1)	116.179 (4)	C(24)—C(25)—C(26)	119.840 (16)
S(1)—P(1)—C(15)	112.518 (4)	C(24)—C(25)—H(25)	120.507 (17)
S(1)—P(1)—C(21)	113.053 (4)	C(26)—C(25)—H(25)	119.653 (12)
C(1)—P(1)—C(15)	109.008 (5)	C(21)—C(26)—C(25)	120.212 (11)
C(1)—P(1)—C(21)	103.085 (5)	C(21)—C(26)—H(26)	120.386 (11)
C(15)—P(1)—C(21)	101.652 (5)	C(25)—C(26)—H(26)	119.291 (11)
S(2)—P(2)—C(27)	113.940 (5)	P(2)—C(27)—C(28)	120.614 (9)
S(2)—P(2)—C(41)	112.796 (6)	P(2)—C(27)—C(40)	119.734 (8)
S(2)—P(2)—C(47)	112.922 (10)	C(28)—C(27)—C(40)	119.547 (10)
C(27)—P(2)—C(41)	108.129 (6)	C(27)—C(28)—C(29)	124.007 (10)
C(27)—P(2)—C(47)	107.110 (10)	C(27)—C(28)—C(33)	119.015 (10)
C(41)—P(2)—C(47)	101.001 (10)	C(29)—C(28)—C(33)	116.821 (10)
P(1)—C(1)—C(2)	116.811 (8)	C(28)—C(29)—C(30)	121.317 (11)
P(1)—C(1)—C(14)	123.439 (8)	C(28)—C(29)—H(29)	120.612 (11)
C(2)—C(1)—C(14)	119.650 (9)	C(30)—C(29)—H(29)	117.945 (11)
C(1)—C(2)—C(3)	123.465 (10)	C(29)—C(30)—C(31)	121.053 (12)
C(1)—C(2)—C(7)	119.444 (10)	C(29)—C(30)—H(30)	119.168 (12)
C(3)—C(2)—C(7)	117.083 (10)	C(31)—C(30)—H(30)	119.766 (12)
C(2)—C(3)—C(4)	121.229 (11)	C(30)—C(31)—C(32)	119.805 (11)
C(2)—C(3)—H(3)	119.513 (10)	C(30)—C(31)—H(31)	120.132 (13)
C(4)—C(3)—H(3)	119.176 (11)	C(32)—C(31)—H(31)	120.028 (12)
C(3)—C(4)—C(5)	121.068 (16)	C(31)—C(32)—C(33)	120.540 (11)
C(3)—C(4)—H(4)	119.469 (12)	C(31)—C(32)—H(32)	122.306 (8)
C(5)—C(4)—H(4)	119.451 (16)	C(33)—C(32)—H(32)	117.128 (7)
C(4)—C(5)—C(6)	119.70 (2)	C(28)—C(33)—C(32)	120.189 (10)
C(4)—C(5)—H(5)	118.59 (3)	C(28)—C(33)—C(34)	119.865 (11)
C(6)—C(5)—H(5)	121.58 (3)	C(32)—C(33)—C(34)	119.912 (10)
C(5)—C(6)—C(7)	120.692 (16)	C(33)—C(34)—C(35)	121.185 (11)
C(5)—C(6)—H(6)	122.433 (16)	C(33)—C(34)—H(34)	119.690 (11)
C(7)—C(6)—H(6)	116.823 (11)	C(35)—C(34)—H(34)	119.072 (11)
C(2)—C(7)—C(6)	119.946 (11)	C(34)—C(35)—C(36)	120.096 (11)
C(2)—C(7)—C(8)	119.511 (10)	C(34)—C(35)—C(40)	119.769 (11)
C(6)—C(7)—C(8)	120.535 (10)	C(36)—C(35)—C(40)	120.103 (11)
C(7)—C(8)—C(9)	121.248 (10)	C(35)—C(36)—C(37)	120.678 (12)
C(7)—C(8)—H(8)	118.317 (10)	C(35)—C(36)—H(36)	118.101 (12)
C(9)—C(8)—H(8)	120.374 (10)	C(37)—C(36)—H(36)	121.203 (12)
C(8)—C(9)—C(10)	119.790 (10)	C(36)—C(37)—C(38)	119.668 (12)
C(8)—C(9)—C(14)	120.059 (10)	C(36)—C(37)—H(37)	121.268 (14)
C(10)—C(9)—C(14)	120.133 (10)	C(38)—C(37)—H(37)	119.042 (13)
C(9)—C(10)—C(11)	121.118 (11)	C(37)—C(38)—C(39)	121.102 (12)
C(9)—C(10)—H(10)	117.906 (11)	C(37)—C(38)—H(38)	119.747 (13)
C(11)—C(10)—H(10)	120.896 (11)	C(39)—C(38)—H(38)	119.140 (14)
C(10)—C(11)—C(12)	119.177 (15)	C(38)—C(39)—C(40)	121.225 (12)
C(10)—C(11)—H(11)	121.227 (12)	C(38)—C(39)—H(39)	119.590 (12)
C(12)—C(11)—H(11)	119.485 (16)	C(40)—C(39)—H(39)	118.950 (11)
C(11)—C(12)—C(13)	121.32 (2)	C(27)—C(40)—C(35)	119.265 (10)
C(11)—C(12)—H(12)	118.73 (2)	C(27)—C(40)—C(39)	123.578 (10)
C(13)—C(12)—H(12)	119.89 (3)	C(35)—C(40)—C(39)	117.010 (11)
C(12)—C(13)—C(14)	121.427 (16)	P(2)—C(41)—C(42)	121.810 (9)
C(12)—C(13)—H(13)	119.767 (16)	P(2)—C(41)—C(46)	118.461 (15)
C(14)—C(13)—H(13)	118.623 (10)	C(42)—C(41)—C(46)	119.548 (17)
C(1)—C(14)—C(9)	118.882 (10)	C(41)—C(42)—C(43)	119.925 (17)
C(1)—C(14)—C(13)	124.248 (10)	C(41)—C(42)—H(42)	121.688 (11)
C(9)—C(14)—C(13)	116.783 (10)	C(43)—C(42)—H(42)	118.382 (17)
P(1)—C(15)—C(16)	120.776 (8)	C(42)—C(43)—C(44)	120.44 (3)
P(1)—C(15)—C(20)	119.392 (8)	C(42)—C(43)—H(43)	118.82 (3)
C(16)—C(15)—C(20)	119.758 (11)	C(44)—C(43)—H(43)	120.74 (3)
C(15)—C(16)—C(17)	120.121 (11)	C(43)—C(44)—C(45)	119.77 (3)
C(15)—C(16)—H(16)	120.916 (11)	C(43)—C(44)—H(44)	119.53 (3)
C(17)—C(16)—H(16)	118.941 (11)	C(45)—C(44)—H(44)	120.70 (3)
C(16)—C(17)—C(18)	120.032 (11)	C(44)—C(45)—C(46)	120.09 (3)
C(16)—C(17)—H(17)	119.466 (12)	C(44)—C(45)—H(45)	120.65 (3)
C(18)—C(17)—H(17)	120.502 (12)	C(46)—C(45)—H(45)	119.25 (3)
C(17)—C(18)—C(19)	119.973 (11)	C(41)—C(46)—C(45)	120.20 (3)
C(17)—C(18)—H(18)	119.812 (12)	C(41)—C(46)—H(46)	119.05 (3)
C(19)—C(18)—H(18)	120.206 (12)	C(45)—C(46)—H(46)	120.75 (3)
C(18)—C(19)—C(20)	120.172 (11)	P(2)—C(47)—C(48)	118.44 (2)
C(18)—C(19)—H(19)	120.137 (11)	P(2)—C(47)—C(52)	121.89 (2)
C(20)—C(19)—H(19)	119.691 (11)	C(48)—C(47)—C(52)	119.63 (3)
C(15)—C(20)—C(19)	119.928 (11)	C(47)—C(48)—C(49)	120.16 (3)
C(15)—C(20)—H(20)	119.785 (11)	C(47)—C(48)—H(48)	119.31 (3)
C(19)—C(20)—H(20)	120.286 (10)	C(49)—C(48)—H(48)	120.53 (3)
P(1)—C(21)—C(22)	119.123 (9)	C(48)—C(49)—C(50)	120.22 (3)
P(1)—C(21)—C(26)	121.182 (8)	C(48)—C(49)—H(49)	119.45 (4)
C(22)—C(21)—C(26)	119.680 (11)	C(50)—C(49)—H(49)	120.32 (4)
C(21)—C(22)—C(23)	120.052 (12)	C(49)—C(50)—C(51)	119.60 (3)
C(21)—C(22)—H(22)	119.294 (11)	C(49)—C(50)—H(50)	120.74 (4)
C(23)—C(22)—H(22)	120.610 (11)	C(51)—C(50)—H(50)	119.66 (4)
C(22)—C(23)—C(24)	120.063 (16)	C(50)—C(51)—C(52)	120.47 (3)
C(22)—C(23)—H(23)	119.852 (13)	C(50)—C(51)—H(51)	120.45 (3)
C(24)—C(23)—H(23)	120.079 (17)	C(52)—C(51)—H(51)	119.08 (3)
C(23)—C(24)—C(25)	120.12 (2)	C(47)—C(52)—C(51)	119.91 (3)
C(23)—C(24)—H(24)	120.06 (3)	C(47)—C(52)—H(52)	121.12 (3)
C(25)—C(24)—H(24)	119.81 (3)	C(51)—C(52)—H(52)	118.93 (3)

(SPANH_Neutron_Data)

Crystal data

C26H19PS	V = 1975.0 (9) Å^3
Mr = 394.44	Z = 4
Triclinic, P1	F(000) = 824
a = 10.227 (2) Å	Dx = 1.327 Mg m^−3
b = 12.324 (3) Å	Neutrons radiation
c = 17.353 (4) Å	µ = 0.04 mm^−1
α = 101.55 (3)°	T = 100 K
β = 91.23 (3)°	Block, yellow
γ = 112.04 (3)°	1.0 × 0.8 × 0.7 mm

Data collection

Anger camera modules diffractometer	9574 reflections with I > 2σ(I)
Radiation source: TOPAZ time-of-flight Laue diffractometer	Rint = 0.107
Absorption correction: multi-scan Mantid	θmax = 30.5°, θmin = 2.6°
	h = −14→14
43479 measured reflections	k = −17→17
10892 independent reflections	l = −24→24

Refinement

Refinement on F^2	847 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.071	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.114	(Δ/σ)max < 0.001
S = 1.63	Δρmax = 0.28 e Å^−3
45261 reflections	Δρmin = −0.25 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.1612 (2)	−0.05007 (18)	0.72893 (13)	0.013
S(2)	0.7102 (3)	0.9631 (2)	0.83617 (15)	0.019
P(1)	0.25939 (11)	0.11307 (10)	0.71351 (7)	0.008
P(2)	0.60295 (12)	0.79771 (10)	0.84422 (7)	0.01
C(1)	0.32910 (9)	0.12517 (8)	0.61819 (5)	0.009
C(2)	0.46090 (9)	0.11254 (8)	0.60871 (5)	0.01
C(3)	0.52116 (10)	0.06096 (8)	0.65957 (5)	0.011
C(4)	0.65114 (10)	0.05545 (9)	0.65007 (6)	0.014
C(5)	0.73227 (10)	0.10206 (9)	0.59012 (6)	0.016
C(6)	0.67637 (10)	0.14681 (9)	0.53793 (6)	0.015
C(7)	0.53915 (9)	0.15123 (8)	0.54472 (5)	0.011
C(8)	0.47871 (9)	0.19012 (8)	0.48878 (5)	0.011
C(9)	0.34059 (9)	0.18630 (8)	0.49098 (5)	0.01
C(10)	0.27582 (10)	0.21264 (8)	0.42734 (6)	0.012
C(11)	0.13902 (10)	0.20446 (9)	0.42609 (6)	0.014
C(12)	0.05943 (10)	0.16769 (9)	0.48914 (6)	0.016
C(13)	0.11841 (9)	0.14350 (9)	0.55202 (6)	0.013
C(14)	0.26245 (9)	0.15266 (8)	0.55623 (5)	0.009
C(15)	0.15254 (9)	0.20320 (8)	0.73288 (5)	0.009
C(16)	0.20474 (10)	0.32223 (8)	0.72413 (6)	0.013
C(17)	0.12435 (10)	0.39182 (8)	0.74226 (6)	0.014
C(18)	−0.00733 (10)	0.34377 (9)	0.77062 (6)	0.015
C(19)	−0.05872 (10)	0.22601 (8)	0.78001 (6)	0.013
C(20)	0.02022 (9)	0.15496 (8)	0.76026 (5)	0.011
C(21)	0.41613 (9)	0.20139 (8)	0.78438 (5)	0.01
C(22)	0.43249 (10)	0.16225 (8)	0.85264 (6)	0.013
C(23)	0.55464 (11)	0.22533 (9)	0.90565 (6)	0.017
C(24)	0.65967 (11)	0.32801 (9)	0.89076 (6)	0.017
C(25)	0.64175 (10)	0.36927 (9)	0.82368 (6)	0.015
C(26)	0.52068 (10)	0.30578 (8)	0.77043 (6)	0.012
C(27)	0.57415 (9)	0.68665 (8)	0.75143 (5)	0.009
C(28)	0.45192 (9)	0.65298 (8)	0.69711 (5)	0.01
C(29)	0.35939 (10)	0.71696 (8)	0.70132 (5)	0.012
C(30)	0.24468 (10)	0.68154 (9)	0.64623 (6)	0.014
C(31)	0.21119 (10)	0.57777 (9)	0.58364 (6)	0.016
C(32)	0.29854 (10)	0.51589 (8)	0.57586 (6)	0.014
C(33)	0.42243 (9)	0.55344 (8)	0.63027 (5)	0.011
C(34)	0.51792 (10)	0.49697 (8)	0.61697 (6)	0.012
C(35)	0.64795 (9)	0.54067 (8)	0.66369 (5)	0.011
C(36)	0.75123 (10)	0.49059 (8)	0.64284 (6)	0.014
C(37)	0.88353 (10)	0.53986 (9)	0.68367 (6)	0.016
C(38)	0.91866 (10)	0.64222 (9)	0.74743 (6)	0.016
C(39)	0.82029 (10)	0.68918 (9)	0.77111 (6)	0.013
C(40)	0.67896 (9)	0.63920 (8)	0.73120 (5)	0.01
C(41)	0.68421 (9)	0.75305 (8)	0.92054 (5)	0.011
C(42)	0.79661 (10)	0.84166 (9)	0.97314 (6)	0.015
C(43)	0.85302 (11)	0.81386 (9)	1.03671 (6)	0.019
C(44)	0.79739 (11)	0.69685 (10)	1.04832 (6)	0.019
C(45)	0.68680 (11)	0.60804 (9)	0.99528 (6)	0.017
C(46)	0.63049 (10)	0.63544 (8)	0.93154 (6)	0.014
C(47)	0.42908 (10)	0.77510 (8)	0.87845 (5)	0.012
C(48)	0.39902 (12)	0.87586 (10)	0.90844 (6)	0.019
C(49)	0.26958 (13)	0.86312 (11)	0.93797 (7)	0.026
C(50)	0.16915 (12)	0.74852 (12)	0.93757 (7)	0.026
C(51)	0.19908 (11)	0.64772 (11)	0.90751 (6)	0.021
C(52)	0.32823 (10)	0.66028 (9)	0.87797 (6)	0.015
H(3)	0.4611 (2)	0.0215 (2)	0.70474 (13)	0.027
H(4)	0.6921 (2)	0.0132 (2)	0.68867 (14)	0.029
H(5)	0.8365 (2)	0.0986 (3)	0.58543 (16)	0.039
H(6)	0.7331 (2)	0.1785 (2)	0.48954 (15)	0.033
H(8)	0.5381 (2)	0.2190 (2)	0.44001 (13)	0.027
H(10)	0.3367 (2)	0.2352 (2)	0.37851 (13)	0.03
H(11)	0.0886 (2)	0.2213 (2)	0.37672 (14)	0.033
H(12)	−0.0520 (2)	0.1547 (3)	0.48567 (16)	0.038
H(13)	0.0528 (2)	0.1109 (2)	0.59676 (14)	0.033
H(16)	0.3065 (2)	0.3608 (2)	0.70189 (15)	0.033
H(17)	0.1647 (2)	0.4840 (2)	0.73386 (16)	0.033
H(18)	−0.0709 (2)	0.3974 (2)	0.78467 (16)	0.035
H(19)	−0.1613 (2)	0.1883 (2)	0.80155 (15)	0.031
H(20)	−0.0208 (2)	0.06212 (18)	0.76649 (14)	0.026
H(22)	0.3511 (2)	0.0811 (2)	0.86226 (14)	0.031
H(23)	0.5684 (3)	0.1935 (2)	0.95808 (15)	0.039
H(24)	0.7553 (3)	0.3756 (2)	0.93157 (16)	0.04
H(25)	0.7223 (2)	0.4496 (2)	0.81211 (15)	0.034
H(26)	0.5101 (2)	0.3361 (2)	0.71716 (13)	0.031
H(29)	0.3833 (2)	0.79903 (19)	0.74630 (13)	0.027
H(30)	0.1811 (2)	0.7356 (2)	0.64997 (14)	0.031
H(31)	0.1185 (2)	0.5500 (2)	0.54095 (15)	0.035
H(32)	0.2771 (2)	0.4383 (2)	0.52735 (14)	0.031
H(34)	0.4940 (2)	0.42065 (19)	0.56664 (13)	0.028
H(36)	0.7221 (2)	0.4132 (2)	0.59281 (15)	0.031
H(37)	0.9628 (3)	0.5030 (2)	0.66634 (15)	0.035
H(38)	1.0254 (2)	0.6850 (2)	0.77725 (15)	0.034
H(39)	0.8529 (2)	0.7692 (2)	0.81804 (14)	0.031
H(42)	0.8394 (2)	0.93211 (19)	0.96299 (15)	0.033
H(43)	0.9393 (3)	0.8830 (2)	1.07806 (16)	0.041
H(44)	0.8405 (3)	0.6755 (2)	1.09840 (16)	0.039
H(45)	0.6446 (3)	0.5169 (2)	1.00307 (16)	0.038
H(46)	0.5459 (3)	0.5643 (2)	0.89045 (15)	0.033
H(48)	0.4771 (3)	0.9640 (2)	0.90765 (16)	0.037
H(49)	0.2476 (3)	0.9426 (3)	0.9615 (2)	0.054
H(50)	0.0677 (3)	0.7382 (3)	0.96034 (19)	0.053
H(51)	0.1211 (3)	0.5583 (2)	0.90568 (17)	0.042
H(52)	0.3489 (2)	0.5806 (2)	0.85383 (15)	0.032

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.0158 (9)	0.0071 (8)	0.0160 (11)	0.0027 (7)	0.0020 (7)	0.0043 (7)
S(2)	0.0263 (12)	0.0100 (9)	0.0160 (12)	0.0017 (9)	0.0028 (9)	0.0054 (8)
P(1)	0.0099 (4)	0.0081 (4)	0.0078 (5)	0.0033 (4)	0.0011 (3)	0.0029 (3)
P(2)	0.0148 (5)	0.0085 (5)	0.0073 (5)	0.0039 (4)	0.0012 (4)	0.0019 (4)
C(1)	0.0104 (4)	0.0113 (4)	0.0070 (4)	0.0045 (3)	0.0015 (3)	0.0029 (3)
C(2)	0.0107 (4)	0.0116 (4)	0.0083 (4)	0.0052 (3)	0.0015 (3)	0.0025 (3)
C(3)	0.0133 (4)	0.0136 (4)	0.0094 (4)	0.0076 (3)	0.0015 (3)	0.0032 (3)
C(4)	0.0135 (4)	0.0183 (4)	0.0124 (5)	0.0090 (3)	0.0005 (3)	0.0037 (3)
C(5)	0.0122 (4)	0.0241 (5)	0.0157 (5)	0.0095 (4)	0.0026 (3)	0.0064 (4)
C(6)	0.0105 (4)	0.0209 (5)	0.0145 (5)	0.0071 (4)	0.0037 (3)	0.0064 (4)
C(7)	0.0101 (4)	0.0135 (4)	0.0090 (4)	0.0048 (3)	0.0021 (3)	0.0031 (3)
C(8)	0.0113 (4)	0.0140 (4)	0.0097 (4)	0.0048 (3)	0.0028 (3)	0.0048 (3)
C(9)	0.0109 (4)	0.0108 (4)	0.0076 (4)	0.0038 (3)	0.0013 (3)	0.0034 (3)
C(10)	0.0134 (4)	0.0140 (4)	0.0095 (4)	0.0046 (3)	0.0010 (3)	0.0055 (3)
C(11)	0.0137 (4)	0.0197 (4)	0.0109 (5)	0.0060 (3)	0.0000 (3)	0.0074 (3)
C(12)	0.0118 (4)	0.0260 (5)	0.0129 (5)	0.0080 (4)	0.0014 (3)	0.0089 (4)
C(13)	0.0103 (4)	0.0213 (5)	0.0098 (4)	0.0068 (3)	0.0013 (3)	0.0062 (3)
C(14)	0.0098 (4)	0.0118 (4)	0.0070 (4)	0.0046 (3)	0.0013 (3)	0.0028 (3)
C(15)	0.0099 (3)	0.0095 (4)	0.0098 (4)	0.0042 (3)	0.0024 (3)	0.0033 (3)
C(16)	0.0130 (4)	0.0107 (4)	0.0177 (5)	0.0052 (3)	0.0053 (3)	0.0070 (3)
C(17)	0.0146 (4)	0.0120 (4)	0.0191 (5)	0.0063 (3)	0.0036 (3)	0.0064 (3)
C(18)	0.0142 (4)	0.0150 (4)	0.0184 (5)	0.0083 (3)	0.0034 (3)	0.0051 (3)
C(19)	0.0114 (4)	0.0133 (4)	0.0155 (5)	0.0053 (3)	0.0037 (3)	0.0044 (3)
C(20)	0.0101 (4)	0.0111 (4)	0.0124 (4)	0.0038 (3)	0.0033 (3)	0.0036 (3)
C(21)	0.0111 (4)	0.0095 (4)	0.0080 (4)	0.0035 (3)	0.0012 (3)	0.0030 (3)
C(22)	0.0163 (4)	0.0152 (4)	0.0088 (4)	0.0059 (3)	0.0009 (3)	0.0052 (3)
C(23)	0.0205 (5)	0.0199 (5)	0.0103 (5)	0.0065 (4)	−0.0028 (3)	0.0045 (4)
C(24)	0.0172 (4)	0.0176 (4)	0.0123 (5)	0.0044 (4)	−0.0035 (3)	0.0021 (3)
C(25)	0.0134 (4)	0.0130 (4)	0.0146 (5)	0.0021 (3)	−0.0015 (3)	0.0021 (3)
C(26)	0.0135 (4)	0.0114 (4)	0.0106 (4)	0.0025 (3)	0.0001 (3)	0.0041 (3)
C(27)	0.0115 (4)	0.0090 (4)	0.0075 (4)	0.0038 (3)	0.0015 (3)	0.0022 (3)
C(28)	0.0114 (4)	0.0098 (4)	0.0078 (4)	0.0035 (3)	0.0020 (3)	0.0023 (3)
C(29)	0.0135 (4)	0.0134 (4)	0.0091 (4)	0.0064 (3)	0.0019 (3)	0.0028 (3)
C(30)	0.0136 (4)	0.0174 (4)	0.0123 (5)	0.0073 (3)	0.0017 (3)	0.0041 (3)
C(31)	0.0122 (4)	0.0200 (5)	0.0133 (5)	0.0053 (4)	0.0002 (3)	0.0027 (3)
C(32)	0.0116 (4)	0.0145 (4)	0.0121 (5)	0.0029 (3)	−0.0001 (3)	0.0005 (3)
C(33)	0.0117 (4)	0.0101 (4)	0.0092 (4)	0.0026 (3)	0.0014 (3)	0.0016 (3)
C(34)	0.0134 (4)	0.0098 (4)	0.0105 (4)	0.0036 (3)	0.0016 (3)	0.0008 (3)
C(35)	0.0132 (4)	0.0101 (4)	0.0110 (4)	0.0054 (3)	0.0040 (3)	0.0036 (3)
C(36)	0.0168 (4)	0.0143 (4)	0.0144 (5)	0.0093 (3)	0.0051 (3)	0.0043 (3)
C(37)	0.0161 (4)	0.0201 (5)	0.0177 (5)	0.0108 (4)	0.0060 (3)	0.0087 (4)
C(38)	0.0134 (4)	0.0220 (5)	0.0148 (5)	0.0081 (4)	0.0031 (3)	0.0072 (4)
C(39)	0.0116 (4)	0.0171 (4)	0.0110 (5)	0.0052 (3)	0.0012 (3)	0.0041 (3)
C(40)	0.0116 (4)	0.0112 (4)	0.0077 (4)	0.0050 (3)	0.0022 (3)	0.0032 (3)
C(41)	0.0142 (4)	0.0111 (4)	0.0077 (4)	0.0040 (3)	−0.0002 (3)	0.0019 (3)
C(42)	0.0173 (4)	0.0146 (4)	0.0109 (5)	0.0041 (3)	−0.0019 (3)	0.0003 (3)
C(43)	0.0223 (5)	0.0211 (5)	0.0114 (5)	0.0080 (4)	−0.0042 (4)	0.0005 (4)
C(44)	0.0247 (5)	0.0232 (5)	0.0114 (5)	0.0130 (4)	−0.0018 (4)	0.0038 (4)
C(45)	0.0235 (5)	0.0179 (5)	0.0129 (5)	0.0099 (4)	0.0006 (4)	0.0060 (4)
C(46)	0.0176 (4)	0.0131 (4)	0.0117 (5)	0.0054 (3)	−0.0005 (3)	0.0047 (3)
C(47)	0.0172 (4)	0.0141 (4)	0.0078 (4)	0.0085 (3)	0.0028 (3)	0.0030 (3)
C(48)	0.0291 (5)	0.0205 (5)	0.0133 (5)	0.0172 (4)	0.0041 (4)	0.0029 (4)
C(49)	0.0318 (6)	0.0353 (6)	0.0199 (6)	0.0249 (5)	0.0068 (4)	0.0040 (5)
C(50)	0.0216 (5)	0.0427 (7)	0.0189 (6)	0.0188 (5)	0.0070 (4)	0.0056 (5)
C(51)	0.0150 (4)	0.0317 (6)	0.0157 (5)	0.0083 (4)	0.0045 (4)	0.0064 (4)
C(52)	0.0143 (4)	0.0179 (4)	0.0131 (5)	0.0061 (4)	0.0040 (3)	0.0037 (3)
H(3)	0.0329 (11)	0.0338 (11)	0.0231 (11)	0.0181 (9)	0.0092 (8)	0.0154 (9)
H(4)	0.0306 (11)	0.0390 (12)	0.0273 (12)	0.0210 (10)	0.0043 (8)	0.0163 (9)
H(5)	0.0247 (11)	0.0646 (17)	0.0431 (16)	0.0274 (12)	0.0125 (10)	0.0256 (13)
H(6)	0.0257 (11)	0.0511 (14)	0.0312 (13)	0.0181 (10)	0.0141 (9)	0.0222 (11)
H(8)	0.0251 (10)	0.0389 (12)	0.0244 (12)	0.0135 (9)	0.0105 (8)	0.0169 (9)
H(10)	0.0301 (11)	0.0418 (13)	0.0225 (12)	0.0121 (10)	0.0084 (8)	0.0181 (10)
H(11)	0.0309 (11)	0.0527 (14)	0.0240 (12)	0.0199 (11)	0.0004 (9)	0.0191 (10)
H(12)	0.0202 (10)	0.0678 (17)	0.0355 (15)	0.0192 (11)	0.0049 (9)	0.0259 (12)
H(13)	0.0204 (10)	0.0592 (15)	0.0234 (12)	0.0146 (10)	0.0073 (8)	0.0219 (11)
H(16)	0.0262 (11)	0.0276 (11)	0.0504 (16)	0.0108 (9)	0.0182 (10)	0.0210 (10)
H(17)	0.0328 (12)	0.0229 (10)	0.0499 (16)	0.0130 (9)	0.0120 (10)	0.0178 (10)
H(18)	0.0298 (11)	0.0302 (11)	0.0522 (17)	0.0193 (10)	0.0113 (10)	0.0120 (10)
H(19)	0.0223 (10)	0.0289 (11)	0.0449 (15)	0.0102 (9)	0.0140 (9)	0.0115 (10)
H(20)	0.0246 (10)	0.0186 (9)	0.0349 (13)	0.0060 (8)	0.0091 (8)	0.0087 (8)
H(22)	0.0322 (11)	0.0302 (11)	0.0261 (12)	0.0025 (9)	−0.0006 (9)	0.0157 (9)
H(23)	0.0445 (14)	0.0467 (14)	0.0254 (14)	0.0127 (12)	−0.0059 (10)	0.0183 (11)
H(24)	0.0328 (12)	0.0409 (13)	0.0323 (15)	0.0033 (10)	−0.0137 (10)	0.0042 (11)
H(25)	0.0286 (11)	0.0267 (11)	0.0336 (14)	−0.0038 (9)	−0.0050 (9)	0.0099 (9)
H(26)	0.0332 (11)	0.0321 (11)	0.0226 (12)	0.0017 (9)	−0.0029 (8)	0.0162 (9)
H(29)	0.0341 (11)	0.0261 (10)	0.0236 (12)	0.0172 (9)	−0.0015 (8)	−0.0016 (8)
H(30)	0.0289 (11)	0.0376 (12)	0.0336 (14)	0.0212 (10)	0.0012 (9)	0.0072 (10)
H(31)	0.0249 (11)	0.0445 (14)	0.0283 (14)	0.0114 (10)	−0.0092 (9)	−0.0005 (10)
H(32)	0.0292 (11)	0.0293 (11)	0.0265 (13)	0.0095 (9)	−0.0064 (8)	−0.0066 (9)
H(34)	0.0328 (11)	0.0230 (10)	0.0239 (12)	0.0116 (9)	0.0001 (8)	−0.0044 (8)
H(36)	0.0342 (12)	0.0277 (11)	0.0329 (14)	0.0178 (9)	0.0050 (9)	−0.0017 (9)
H(37)	0.0316 (12)	0.0431 (13)	0.0396 (15)	0.0256 (11)	0.0079 (10)	0.0085 (10)
H(38)	0.0212 (10)	0.0456 (14)	0.0339 (14)	0.0131 (10)	−0.0021 (9)	0.0041 (10)
H(39)	0.0270 (11)	0.0326 (11)	0.0252 (13)	0.0097 (9)	−0.0016 (8)	−0.0043 (9)
H(42)	0.0366 (12)	0.0208 (10)	0.0319 (14)	0.0023 (9)	−0.0045 (9)	0.0048 (9)
H(43)	0.0432 (14)	0.0338 (13)	0.0332 (16)	0.0061 (11)	−0.0171 (11)	−0.0003 (10)
H(44)	0.0503 (15)	0.0431 (14)	0.0271 (14)	0.0196 (12)	−0.0083 (10)	0.0107 (11)
H(45)	0.0498 (15)	0.0251 (11)	0.0377 (15)	0.0101 (10)	−0.0032 (11)	0.0149 (10)
H(46)	0.0343 (12)	0.0239 (10)	0.0320 (14)	0.0030 (9)	−0.0100 (9)	0.0064 (9)
H(48)	0.0501 (15)	0.0232 (11)	0.0400 (16)	0.0186 (11)	0.0113 (11)	0.0060 (9)
H(49)	0.0638 (19)	0.0542 (17)	0.059 (2)	0.0435 (16)	0.0197 (15)	0.0067 (14)
H(50)	0.0370 (14)	0.082 (2)	0.049 (2)	0.0330 (15)	0.0203 (13)	0.0142 (15)
H(51)	0.0268 (12)	0.0453 (15)	0.0463 (18)	0.0055 (11)	0.0124 (11)	0.0090 (12)
H(52)	0.0308 (11)	0.0229 (10)	0.0430 (15)	0.0110 (9)	0.0111 (10)	0.0063 (9)

Geometric parameters (Å, º)

S(1)—P(1)	1.958 (2)	C(24)—H(24)	1.084 (3)
S(2)—P(2)	1.954 (2)	C(25)—C(26)	1.3904 (14)
P(1)—C(1)	1.8265 (14)	C(25)—H(25)	1.083 (2)
P(1)—C(15)	1.8216 (13)	C(26)—H(26)	1.082 (2)
P(1)—C(21)	1.8266 (14)	C(27)—C(28)	1.4237 (13)
P(2)—C(27)	1.8296 (15)	C(27)—C(40)	1.4208 (12)
P(2)—C(41)	1.8264 (14)	C(28)—C(29)	1.4362 (12)
P(2)—C(47)	1.8254 (14)	C(28)—C(33)	1.4417 (13)
C(1)—C(2)	1.4230 (12)	C(29)—C(30)	1.3715 (13)
C(1)—C(14)	1.4225 (12)	C(29)—H(29)	1.087 (2)
C(2)—C(3)	1.4346 (12)	C(30)—C(31)	1.4253 (15)
C(2)—C(7)	1.4368 (12)	C(30)—H(30)	1.087 (2)
C(3)—C(4)	1.3680 (13)	C(31)—C(32)	1.3687 (13)
C(3)—H(3)	1.085 (2)	C(31)—H(31)	1.091 (2)
C(4)—C(5)	1.4211 (14)	C(32)—C(33)	1.4298 (13)
C(4)—H(4)	1.089 (2)	C(32)—H(32)	1.088 (3)
C(5)—C(6)	1.3658 (13)	C(33)—C(34)	1.3953 (13)
C(5)—H(5)	1.087 (2)	C(34)—C(35)	1.3990 (13)
C(6)—C(7)	1.4312 (12)	C(34)—H(34)	1.094 (2)
C(6)—H(6)	1.085 (2)	C(35)—C(36)	1.4296 (12)
C(7)—C(8)	1.3918 (12)	C(35)—C(40)	1.4397 (13)
C(8)—C(9)	1.3972 (12)	C(36)—C(37)	1.3679 (14)
C(8)—H(8)	1.092 (2)	C(36)—H(36)	1.093 (3)
C(9)—C(10)	1.4274 (12)	C(37)—C(38)	1.4243 (15)
C(9)—C(14)	1.4390 (12)	C(37)—H(37)	1.089 (2)
C(10)—C(11)	1.3638 (13)	C(38)—C(39)	1.3694 (13)
C(10)—H(10)	1.081 (2)	C(38)—H(38)	1.083 (3)
C(11)—C(12)	1.4230 (13)	C(39)—C(40)	1.4374 (13)
C(11)—H(11)	1.084 (2)	C(39)—H(39)	1.081 (3)
C(12)—C(13)	1.3713 (13)	C(41)—C(42)	1.4002 (13)
C(12)—H(12)	1.088 (2)	C(41)—C(46)	1.3989 (13)
C(13)—C(14)	1.4336 (12)	C(42)—C(43)	1.3927 (14)
C(13)—H(13)	1.076 (2)	C(42)—H(42)	1.087 (2)
C(15)—C(16)	1.4017 (12)	C(43)—C(44)	1.3961 (15)
C(15)—C(20)	1.3954 (12)	C(43)—H(43)	1.088 (3)
C(16)—C(17)	1.3938 (13)	C(44)—C(45)	1.3954 (15)
C(16)—H(16)	1.085 (2)	C(44)—H(44)	1.087 (3)
C(17)—C(18)	1.3975 (13)	C(45)—C(46)	1.3917 (13)
C(17)—H(17)	1.095 (2)	C(45)—H(45)	1.079 (2)
C(18)—C(19)	1.3911 (13)	C(46)—H(46)	1.086 (3)
C(18)—H(18)	1.088 (2)	C(47)—C(48)	1.3936 (13)
C(19)—C(20)	1.3993 (12)	C(47)—C(52)	1.4020 (13)
C(19)—H(19)	1.085 (2)	C(48)—C(49)	1.3947 (15)
C(20)—H(20)	1.090 (2)	C(48)—H(48)	1.083 (3)
C(21)—C(22)	1.3944 (12)	C(49)—C(50)	1.3988 (18)
C(21)—C(26)	1.4001 (12)	C(49)—H(49)	1.089 (3)
C(22)—C(23)	1.3952 (14)	C(50)—C(51)	1.3935 (16)
C(22)—H(22)	1.081 (2)	C(50)—H(50)	1.089 (3)
C(23)—C(24)	1.3944 (14)	C(51)—C(52)	1.3923 (14)
C(23)—H(23)	1.086 (2)	C(51)—H(51)	1.085 (3)
C(24)—C(25)	1.3947 (14)	C(52)—H(52)	1.087 (2)
S(1)—P(1)—C(1)	116.18 (9)	C(24)—C(25)—C(26)	119.82 (9)
S(1)—P(1)—C(15)	112.47 (9)	C(24)—C(25)—H(25)	120.56 (16)
S(1)—P(1)—C(21)	112.96 (9)	C(26)—C(25)—H(25)	119.62 (16)
C(1)—P(1)—C(15)	109.15 (6)	C(21)—C(26)—C(25)	120.23 (8)
C(1)—P(1)—C(21)	102.96 (6)	C(21)—C(26)—H(26)	120.44 (14)
C(15)—P(1)—C(21)	101.80 (7)	C(25)—C(26)—H(26)	119.28 (14)
S(2)—P(2)—C(27)	113.81 (9)	P(2)—C(27)—C(28)	120.57 (7)
S(2)—P(2)—C(41)	112.89 (10)	P(2)—C(27)—C(40)	119.65 (7)
S(2)—P(2)—C(47)	113.04 (10)	C(28)—C(27)—C(40)	119.66 (8)
C(27)—P(2)—C(41)	108.05 (7)	C(27)—C(28)—C(29)	124.12 (8)
C(27)—P(2)—C(47)	107.07 (7)	C(27)—C(28)—C(33)	118.90 (8)
C(41)—P(2)—C(47)	101.05 (7)	C(29)—C(28)—C(33)	116.85 (8)
P(1)—C(1)—C(2)	117.00 (7)	C(28)—C(29)—C(30)	121.45 (9)
P(1)—C(1)—C(14)	123.32 (7)	C(28)—C(29)—H(29)	120.27 (13)
C(2)—C(1)—C(14)	119.59 (8)	C(30)—C(29)—H(29)	118.14 (13)
C(1)—C(2)—C(3)	123.44 (8)	C(29)—C(30)—C(31)	120.95 (9)
C(1)—C(2)—C(7)	119.56 (7)	C(29)—C(30)—H(30)	118.81 (16)
C(3)—C(2)—C(7)	116.99 (7)	C(31)—C(30)—H(30)	120.22 (16)
C(2)—C(3)—C(4)	121.23 (8)	C(30)—C(31)—C(32)	119.68 (9)
C(2)—C(3)—H(3)	119.88 (13)	C(30)—C(31)—H(31)	119.96 (16)
C(4)—C(3)—H(3)	118.82 (13)	C(32)—C(31)—H(31)	120.32 (16)
C(3)—C(4)—C(5)	121.21 (8)	C(31)—C(32)—C(33)	120.77 (9)
C(3)—C(4)—H(4)	119.18 (14)	C(31)—C(32)—H(32)	120.94 (14)
C(5)—C(4)—H(4)	119.60 (14)	C(33)—C(32)—H(32)	118.28 (14)
C(4)—C(5)—C(6)	119.59 (8)	C(28)—C(33)—C(32)	120.06 (8)
C(4)—C(5)—H(5)	119.21 (15)	C(28)—C(33)—C(34)	119.88 (8)
C(6)—C(5)—H(5)	121.16 (15)	C(32)—C(33)—C(34)	120.01 (8)
C(5)—C(6)—C(7)	120.73 (8)	C(33)—C(34)—C(35)	121.30 (8)
C(5)—C(6)—H(6)	121.46 (14)	C(33)—C(34)—H(34)	119.46 (14)
C(7)—C(6)—H(6)	117.81 (14)	C(35)—C(34)—H(34)	119.11 (14)
C(2)—C(7)—C(6)	119.99 (8)	C(34)—C(35)—C(36)	120.15 (9)
C(2)—C(7)—C(8)	119.34 (8)	C(34)—C(35)—C(40)	119.54 (8)
C(6)—C(7)—C(8)	120.66 (8)	C(36)—C(35)—C(40)	120.27 (8)
C(7)—C(8)—C(9)	121.46 (8)	C(35)—C(36)—C(37)	120.64 (9)
C(7)—C(8)—H(8)	119.20 (13)	C(35)—C(36)—H(36)	118.16 (14)
C(9)—C(8)—H(8)	119.23 (13)	C(37)—C(36)—H(36)	121.19 (14)
C(8)—C(9)—C(10)	119.86 (8)	C(36)—C(37)—C(38)	119.61 (9)
C(8)—C(9)—C(14)	120.04 (7)	C(36)—C(37)—H(37)	120.28 (17)
C(10)—C(9)—C(14)	120.08 (8)	C(38)—C(37)—H(37)	120.08 (17)
C(9)—C(10)—C(11)	121.22 (8)	C(37)—C(38)—C(39)	121.19 (9)
C(9)—C(10)—H(10)	118.08 (14)	C(37)—C(38)—H(38)	119.75 (15)
C(11)—C(10)—H(10)	120.64 (14)	C(39)—C(38)—H(38)	119.05 (16)
C(10)—C(11)—C(12)	119.13 (8)	C(38)—C(39)—C(40)	121.32 (9)
C(10)—C(11)—H(11)	121.23 (15)	C(38)—C(39)—H(39)	118.65 (14)
C(12)—C(11)—H(11)	119.58 (15)	C(40)—C(39)—H(39)	119.88 (14)
C(11)—C(12)—C(13)	121.47 (8)	C(27)—C(40)—C(35)	119.34 (8)
C(11)—C(12)—H(12)	118.83 (15)	C(27)—C(40)—C(39)	123.76 (8)
C(13)—C(12)—H(12)	119.63 (15)	C(35)—C(40)—C(39)	116.76 (8)
C(12)—C(13)—C(14)	121.19 (8)	P(2)—C(41)—C(42)	118.55 (8)
C(12)—C(13)—H(13)	119.10 (13)	P(2)—C(41)—C(46)	121.90 (8)
C(14)—C(13)—H(13)	119.57 (13)	C(42)—C(41)—C(46)	119.37 (8)
C(1)—C(14)—C(9)	118.78 (7)	C(41)—C(42)—C(43)	120.51 (9)
C(1)—C(14)—C(13)	124.27 (8)	C(41)—C(42)—H(42)	118.65 (16)
C(9)—C(14)—C(13)	116.87 (7)	C(43)—C(42)—H(42)	120.83 (16)
P(1)—C(15)—C(16)	120.65 (7)	C(42)—C(43)—C(44)	119.94 (10)
P(1)—C(15)—C(20)	119.55 (7)	C(42)—C(43)—H(43)	120.51 (16)
C(16)—C(15)—C(20)	119.74 (8)	C(44)—C(43)—H(43)	119.54 (16)
C(15)—C(16)—C(17)	120.09 (8)	C(43)—C(44)—C(45)	119.61 (9)
C(15)—C(16)—H(16)	120.77 (14)	C(43)—C(44)—H(44)	119.91 (17)
C(17)—C(16)—H(16)	119.12 (14)	C(45)—C(44)—H(44)	120.48 (17)
C(16)—C(17)—C(18)	120.05 (8)	C(44)—C(45)—C(46)	120.59 (9)
C(16)—C(17)—H(17)	119.64 (15)	C(44)—C(45)—H(45)	120.13 (17)
C(18)—C(17)—H(17)	120.30 (15)	C(46)—C(45)—H(45)	119.28 (17)
C(17)—C(18)—C(19)	119.93 (8)	C(41)—C(46)—C(45)	119.96 (9)
C(17)—C(18)—H(18)	120.47 (15)	C(41)—C(46)—H(46)	120.90 (14)
C(19)—C(18)—H(18)	119.59 (15)	C(45)—C(46)—H(46)	119.14 (14)
C(18)—C(19)—C(20)	120.22 (8)	P(2)—C(47)—C(48)	118.44 (8)
C(18)—C(19)—H(19)	120.01 (14)	P(2)—C(47)—C(52)	121.89 (7)
C(20)—C(19)—H(19)	119.75 (14)	C(48)—C(47)—C(52)	119.63 (9)
C(15)—C(20)—C(19)	119.95 (8)	C(47)—C(48)—C(49)	120.43 (10)
C(15)—C(20)—H(20)	119.72 (13)	C(47)—C(48)—H(48)	118.98 (15)
C(19)—C(20)—H(20)	120.33 (13)	C(49)—C(48)—H(48)	120.57 (15)
P(1)—C(21)—C(22)	119.06 (7)	C(48)—C(49)—C(50)	119.87 (10)
P(1)—C(21)—C(26)	121.13 (7)	C(48)—C(49)—H(49)	119.7 (2)
C(22)—C(21)—C(26)	119.80 (8)	C(50)—C(49)—H(49)	120.4 (2)
C(21)—C(22)—C(23)	119.92 (9)	C(49)—C(50)—C(51)	119.73 (10)
C(21)—C(22)—H(22)	118.83 (15)	C(49)—C(50)—H(50)	120.1 (2)
C(23)—C(22)—H(22)	121.22 (14)	C(51)—C(50)—H(50)	120.2 (2)
C(22)—C(23)—C(24)	120.05 (9)	C(50)—C(51)—C(52)	120.48 (10)
C(22)—C(23)—H(23)	119.85 (16)	C(50)—C(51)—H(51)	120.43 (16)
C(24)—C(23)—H(23)	120.09 (16)	C(52)—C(51)—H(51)	119.08 (17)
C(23)—C(24)—C(25)	120.14 (9)	C(47)—C(52)—C(51)	119.86 (9)
C(23)—C(24)—H(24)	119.71 (16)	C(47)—C(52)—H(52)	120.72 (15)
C(25)—C(24)—H(24)	120.15 (16)	C(51)—C(52)—H(52)	119.41 (15)

(SPAnH_Aniso_noQ0)

Crystal data

C26H19PS	Z = 4
Mr = 394.44	F(000) = 824
Triclinic, P1	Dx = 1.327 Mg m^−3
a = 10.223 (2) Å	Cell parameters from 9960 reflections
b = 12.326 (2) Å	θ = 1.2–54.7°
c = 17.357 (3) Å	µ = 0.25 mm^−1
α = 101.55 (2)°	T = 100 K
β = 91.23 (2)°	Block, yellow
γ = 112.05 (2)°	0.22 × 0.19 × 0.11 mm
V = 1974.8 (7) Å^3

Data collection

Bruker Smart APEX II Ultra diffractometer	41917 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.023
Absorption correction: multi-scan SADABS-2016/2	θmax = 54.7°, θmin = 1.2°
Tmin = 0.946, Tmax = 0.973	h = −23→23
299913 measured reflections	k = −28→28
48281 independent reflections	l = −39→39

Refinement

Refinement on F^2	1043 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.014	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.022	(Δ/σ)max < 0.001
S = 1.58	Δρmax = 0.18 e Å^−3
41640 reflections	Δρmin = −0.20 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.338712 (8)	0.550030 (7)	0.771170 (5)	0.015
S(2)	0.790618 (10)	0.537316 (7)	0.663486 (5)	0.021
P(1)	0.240529 (3)	0.387120 (3)	0.786503 (2)	0.01
P(2)	0.897290 (8)	0.702387 (6)	0.655781 (4)	0.012
C(1)	0.171020 (11)	0.374958 (10)	0.881910 (6)	0.011
C(2)	0.039150 (12)	0.387531 (10)	0.891257 (6)	0.011
C(3)	−0.021024 (13)	0.439065 (11)	0.840376 (7)	0.013
C(4)	−0.151129 (14)	0.444524 (12)	0.849781 (7)	0.016
C(5)	−0.23237 (3)	0.39754 (3)	0.909781 (19)	0.018
C(6)	−0.176479 (13)	0.353057 (13)	0.961976 (8)	0.016
C(7)	−0.038898 (12)	0.349042 (11)	0.955329 (6)	0.012
C(8)	0.021306 (12)	0.309869 (11)	1.011348 (7)	0.013
C(9)	0.159549 (12)	0.313816 (10)	1.009074 (6)	0.011
C(10)	0.224318 (13)	0.287357 (11)	1.072637 (7)	0.014
C(11)	0.361304 (14)	0.295540 (13)	1.073722 (8)	0.016
C(12)	0.44076 (3)	0.33229 (3)	1.010651 (19)	0.018
C(13)	0.381470 (13)	0.356708 (13)	0.948083 (7)	0.015
C(14)	0.237514 (12)	0.347349 (10)	0.943789 (6)	0.011
C(15)	0.347439 (12)	0.296700 (10)	0.767152 (6)	0.011
C(16)	0.295344 (13)	0.177709 (11)	0.775855 (8)	0.015
C(17)	0.375692 (14)	0.108227 (12)	0.757686 (8)	0.016
C(18)	0.507350 (14)	0.156327 (12)	0.729299 (8)	0.017
C(19)	0.558957 (13)	0.274188 (12)	0.720094 (8)	0.015
C(20)	0.479723 (12)	0.345043 (11)	0.739675 (7)	0.013
C(21)	0.084035 (12)	0.298659 (10)	0.715628 (6)	0.011
C(22)	0.067435 (14)	0.337638 (12)	0.647453 (7)	0.015
C(23)	−0.054622 (16)	0.274521 (14)	0.594366 (8)	0.019
C(24)	−0.15932 (3)	0.17207 (3)	0.609086 (18)	0.019
C(25)	−0.141668 (14)	0.130931 (12)	0.676272 (8)	0.017
C(26)	−0.020480 (13)	0.194204 (11)	0.729462 (7)	0.014
C(27)	0.925901 (12)	0.813232 (10)	0.748497 (6)	0.011
C(28)	1.048264 (12)	0.847136 (10)	0.802854 (6)	0.011
C(29)	1.140709 (13)	0.782966 (11)	0.798689 (7)	0.013
C(30)	1.255443 (14)	0.818605 (13)	0.853822 (7)	0.016
C(31)	1.288803 (14)	0.922163 (13)	0.916391 (8)	0.017
C(32)	1.201643 (14)	0.984179 (12)	0.924283 (7)	0.016
C(33)	1.077535 (12)	0.946288 (10)	0.869814 (6)	0.012
C(34)	0.981934 (13)	1.003076 (10)	0.883039 (7)	0.013
C(35)	0.852175 (13)	0.959298 (10)	0.836352 (7)	0.012
C(36)	0.748731 (15)	1.009486 (12)	0.857099 (8)	0.016
C(37)	0.616420 (15)	0.960096 (14)	0.816459 (8)	0.018
C(38)	0.581209 (14)	0.857880 (14)	0.752548 (8)	0.018
C(39)	0.679937 (13)	0.810915 (12)	0.728825 (7)	0.015
C(40)	0.820903 (12)	0.860896 (10)	0.768806 (6)	0.012
C(41)	0.815807 (13)	0.746834 (10)	0.579336 (6)	0.013
C(42)	0.869485 (15)	0.864423 (12)	0.568401 (7)	0.016
C(43)	0.81298 (4)	0.89187 (3)	0.504687 (18)	0.019
C(44)	0.70261 (4)	0.80308 (3)	0.451930 (19)	0.021
C(45)	0.64716 (4)	0.68632 (3)	0.463448 (19)	0.021
C(46)	0.70366 (3)	0.65822 (3)	0.527005 (18)	0.017
C(47)	1.07130 (3)	0.72515 (3)	0.621516 (15)	0.014
C(48)	1.10163 (4)	0.62441 (3)	0.591601 (18)	0.021
C(49)	1.23143 (5)	0.63790 (4)	0.56216 (2)	0.028
C(50)	1.33134 (4)	0.75185 (4)	0.56244 (2)	0.028
C(51)	1.30120 (4)	0.85258 (4)	0.59260 (2)	0.023
C(52)	1.17195 (3)	0.83982 (3)	0.621968 (17)	0.017
H(3)	0.039862	0.478797	0.795687	0.026
H(4)	−0.192101	0.486922	0.811828	0.029
H(5)	−0.334765	0.403817	0.915234	0.035
H(6)	−0.230383	0.322882	1.011424	0.031
H(8)	−0.040355	0.279938	1.058538	0.028
H(10)	0.162719	0.265187	1.121369	0.028
H(11)	0.412499	0.280006	1.123297	0.032
H(12)	0.551628	0.344969	1.014232	0.035
H(13)	0.446491	0.390746	0.903056	0.03
H(16)	0.193687	0.139278	0.798017	0.029
H(17)	0.335505	0.01694	0.765749	0.03
H(18)	0.569698	0.102096	0.71548	0.03
H(19)	0.660686	0.311557	0.697774	0.029
H(20)	0.519932	0.437241	0.733414	0.027
H(22)	0.148648	0.419176	0.63791	0.03
H(23)	−0.068258	0.306392	0.542165	0.036
H(24)	−0.25551	0.124546	0.568809	0.035
H(25)	−0.221705	0.049831	0.687178	0.032
H(26)	−0.010839	0.165073	0.783416	0.029
H(29)	1.117259	0.701354	0.753833	0.026
H(30)	1.320172	0.765853	0.850086	0.029
H(31)	1.380793	0.949867	0.958869	0.032
H(32)	1.220302	1.061396	0.972156	0.029
H(34)	1.006238	1.08017	0.93181	0.028
H(36)	0.77789	1.085888	0.906805	0.031
H(37)	0.535826	0.995046	0.832859	0.031
H(38)	0.474357	0.815445	0.722738	0.032
H(39)	0.648652	0.729947	0.682495	0.028
H(42)	0.954055	0.936078	0.608858	0.03
H(43)	0.855888	0.983358	0.497034	0.036
H(44)	0.660186	0.82564	0.402459	0.039
H(45)	0.560929	0.616526	0.422959	0.038
H(46)	0.661533	0.56789	0.536793	0.031
H(48)	1.023378	0.536099	0.591833	0.038
H(49)	1.253215	0.558881	0.538567	0.053
H(50)	1.432215	0.762811	0.539625	0.048
H(51)	1.378499	0.941888	0.593893	0.037
H(52)	1.152861	0.919626	0.647211	0.03

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.016456 (12)	0.010797 (10)	0.018679 (12)	0.004083 (9)	0.003065 (9)	0.005351 (8)
S(2)	0.02910 (4)	0.01213 (3)	0.01728 (3)	0.00351 (3)	0.00260 (3)	0.00547 (2)
P(1)	0.010763 (10)	0.010259 (10)	0.009374 (9)	0.004295 (8)	0.002103 (7)	0.003416 (7)
P(2)	0.015569 (12)	0.010457 (10)	0.008942 (10)	0.004907 (9)	0.001727 (8)	0.002362 (7)
C(1)	0.01114 (3)	0.01384 (4)	0.00902 (3)	0.00591 (3)	0.00181 (3)	0.00343 (3)
C(2)	0.01149 (3)	0.01430 (4)	0.00965 (3)	0.00641 (3)	0.00184 (3)	0.00306 (3)
C(3)	0.01440 (4)	0.01697 (4)	0.01109 (3)	0.00893 (3)	0.00177 (3)	0.00383 (3)
C(4)	0.01483 (4)	0.02127 (5)	0.01388 (4)	0.01054 (4)	0.00117 (3)	0.00436 (3)
C(5)	0.01321 (4)	0.02740 (6)	0.01790 (4)	0.01096 (4)	0.00312 (3)	0.00760 (4)
C(6)	0.01234 (4)	0.02415 (5)	0.01605 (4)	0.00892 (4)	0.00424 (3)	0.00727 (4)
C(7)	0.01120 (3)	0.01622 (4)	0.01103 (3)	0.00621 (3)	0.00248 (3)	0.00403 (3)
C(8)	0.01210 (4)	0.01669 (4)	0.01142 (3)	0.00593 (3)	0.00316 (3)	0.00532 (3)
C(9)	0.01170 (3)	0.01318 (3)	0.00972 (3)	0.00488 (3)	0.00170 (3)	0.00392 (3)
C(10)	0.01443 (4)	0.01696 (4)	0.01164 (3)	0.00598 (3)	0.00163 (3)	0.00643 (3)
C(11)	0.01475 (4)	0.02228 (5)	0.01405 (4)	0.00740 (4)	0.00038 (3)	0.00825 (4)
C(12)	0.01286 (4)	0.02950 (6)	0.01548 (4)	0.00926 (4)	0.00134 (3)	0.01000 (4)
C(13)	0.01113 (4)	0.02351 (5)	0.01252 (4)	0.00727 (4)	0.00181 (3)	0.00718 (3)
C(14)	0.01055 (3)	0.01340 (3)	0.00943 (3)	0.00493 (3)	0.00129 (3)	0.00358 (3)
C(15)	0.01151 (3)	0.01167 (3)	0.01221 (3)	0.00496 (3)	0.00315 (3)	0.00428 (3)
C(16)	0.01415 (4)	0.01305 (4)	0.01997 (4)	0.00627 (3)	0.00559 (3)	0.00745 (3)
C(17)	0.01646 (4)	0.01396 (4)	0.02232 (5)	0.00793 (4)	0.00455 (4)	0.00704 (3)
C(18)	0.01541 (4)	0.01647 (4)	0.02093 (5)	0.00908 (4)	0.00383 (4)	0.00525 (4)
C(19)	0.01237 (4)	0.01614 (4)	0.01830 (4)	0.00649 (3)	0.00417 (3)	0.00443 (3)
C(20)	0.01160 (3)	0.01286 (3)	0.01425 (4)	0.00452 (3)	0.00347 (3)	0.00395 (3)
C(21)	0.01279 (3)	0.01218 (3)	0.00935 (3)	0.00494 (3)	0.00142 (3)	0.00347 (3)
C(22)	0.01744 (4)	0.01711 (4)	0.01082 (3)	0.00638 (4)	0.00105 (3)	0.00578 (3)
C(23)	0.02187 (5)	0.02251 (5)	0.01247 (4)	0.00764 (4)	−0.00261 (4)	0.00529 (4)
C(24)	0.01868 (5)	0.02057 (5)	0.01536 (4)	0.00588 (4)	−0.00412 (4)	0.00170 (4)
C(25)	0.01552 (4)	0.01538 (4)	0.01641 (4)	0.00298 (4)	−0.00141 (3)	0.00254 (3)
C(26)	0.01467 (4)	0.01317 (4)	0.01281 (4)	0.00310 (3)	0.00004 (3)	0.00439 (3)
C(27)	0.01288 (4)	0.01224 (3)	0.00913 (3)	0.00541 (3)	0.00172 (3)	0.00222 (3)
C(28)	0.01233 (3)	0.01218 (3)	0.00951 (3)	0.00503 (3)	0.00189 (3)	0.00233 (3)
C(29)	0.01503 (4)	0.01587 (4)	0.01130 (3)	0.00811 (3)	0.00213 (3)	0.00310 (3)
C(30)	0.01452 (4)	0.02070 (5)	0.01421 (4)	0.00891 (4)	0.00187 (3)	0.00430 (3)
C(31)	0.01327 (4)	0.02184 (5)	0.01539 (4)	0.00608 (4)	−0.00056 (3)	0.00220 (4)
C(32)	0.01376 (4)	0.01664 (4)	0.01367 (4)	0.00395 (3)	−0.00042 (3)	0.00025 (3)
C(33)	0.01251 (4)	0.01203 (3)	0.01101 (3)	0.00401 (3)	0.00155 (3)	0.00141 (3)
C(34)	0.01487 (4)	0.01188 (3)	0.01281 (4)	0.00517 (3)	0.00218 (3)	0.00090 (3)
C(35)	0.01446 (4)	0.01233 (3)	0.01198 (3)	0.00647 (3)	0.00319 (3)	0.00314 (3)
C(36)	0.01836 (5)	0.01657 (4)	0.01672 (4)	0.01042 (4)	0.00525 (4)	0.00456 (3)
C(37)	0.01787 (5)	0.02294 (5)	0.01906 (5)	0.01277 (4)	0.00557 (4)	0.00790 (4)
C(38)	0.01468 (4)	0.02476 (5)	0.01643 (4)	0.00984 (4)	0.00286 (3)	0.00710 (4)
C(39)	0.01333 (4)	0.01943 (4)	0.01254 (4)	0.00669 (4)	0.00144 (3)	0.00390 (3)
C(40)	0.01281 (4)	0.01304 (3)	0.01032 (3)	0.00575 (3)	0.00221 (3)	0.00332 (3)
C(41)	0.01580 (4)	0.01342 (4)	0.00983 (3)	0.00539 (3)	0.00054 (3)	0.00224 (3)
C(42)	0.01942 (5)	0.01475 (4)	0.01371 (4)	0.00606 (4)	−0.00058 (3)	0.00460 (3)
C(43)	0.02514 (6)	0.02014 (5)	0.01532 (4)	0.01098 (5)	0.00025 (4)	0.00668 (4)
C(44)	0.02624 (6)	0.02626 (6)	0.01343 (4)	0.01421 (5)	−0.00190 (4)	0.00397 (4)
C(45)	0.02270 (5)	0.02374 (6)	0.01439 (4)	0.00914 (5)	−0.00450 (4)	0.00045 (4)
C(46)	0.01879 (5)	0.01647 (4)	0.01299 (4)	0.00522 (4)	−0.00178 (3)	0.00074 (3)
C(47)	0.01864 (4)	0.01636 (4)	0.01047 (3)	0.00994 (4)	0.00323 (3)	0.00294 (3)
C(48)	0.02991 (7)	0.02246 (5)	0.01614 (4)	0.01808 (5)	0.00502 (4)	0.00306 (4)
C(49)	0.03453 (8)	0.03842 (9)	0.02218 (6)	0.02762 (8)	0.00819 (5)	0.00403 (6)
C(50)	0.02404 (6)	0.04721 (10)	0.02014 (5)	0.02214 (7)	0.00756 (5)	0.00613 (6)
C(51)	0.01681 (5)	0.03434 (7)	0.01864 (5)	0.01008 (5)	0.00529 (4)	0.00637 (5)
C(52)	0.01612 (4)	0.02006 (5)	0.01588 (4)	0.00762 (4)	0.00431 (3)	0.00428 (4)
H(3)	0.0290 (18)	0.0313 (19)	0.0275 (18)	0.0229 (16)	−0.0018 (14)	0.0045 (15)
H(4)	0.0221 (17)	0.036 (2)	0.0281 (18)	0.0112 (15)	0.0066 (14)	0.0076 (16)
H(5)	0.0312 (19)	0.052 (3)	0.035 (2)	0.0240 (18)	0.0086 (16)	0.0233 (19)
H(6)	0.0199 (17)	0.046 (2)	0.0314 (19)	0.0164 (16)	0.0041 (14)	0.0147 (17)
H(8)	0.035 (2)	0.0250 (19)	0.0235 (17)	0.0113 (15)	−0.0079 (15)	0.0056 (15)
H(10)	0.0231 (17)	0.036 (2)	0.0293 (18)	0.0154 (16)	−0.0010 (14)	0.0099 (16)
H(11)	0.0235 (18)	0.046 (2)	0.0310 (19)	0.0145 (17)	0.0039 (15)	0.0148 (17)
H(12)	0.0272 (19)	0.056 (3)	0.030 (2)	0.0167 (18)	0.0057 (15)	0.0237 (19)
H(13)	0.0205 (17)	0.044 (2)	0.0302 (19)	0.0149 (16)	0.0020 (14)	0.0145 (17)
H(16)	0.0302 (18)	0.0190 (17)	0.041 (2)	0.0120 (14)	0.0108 (16)	0.0108 (15)
H(17)	0.0252 (18)	0.0299 (19)	0.040 (2)	0.0146 (15)	0.0095 (16)	0.0095 (16)
H(18)	0.0265 (18)	0.0286 (19)	0.035 (2)	0.0111 (15)	0.0043 (15)	0.0097 (16)
H(19)	0.0309 (19)	0.0254 (18)	0.035 (2)	0.0142 (15)	0.0062 (15)	0.0083 (15)
H(20)	0.0201 (17)	0.0319 (19)	0.0278 (19)	0.0093 (15)	0.0054 (14)	0.0054 (15)
H(22)	0.0320 (19)	0.036 (2)	0.0231 (18)	0.0125 (16)	−0.0042 (15)	0.0090 (15)
H(23)	0.030 (2)	0.039 (2)	0.033 (2)	0.0052 (17)	−0.0029 (16)	0.0119 (17)
H(24)	0.039 (2)	0.035 (2)	0.0292 (19)	0.0125 (17)	−0.0041 (16)	0.0089 (16)
H(25)	0.0266 (18)	0.032 (2)	0.033 (2)	0.0048 (15)	−0.0064 (15)	0.0078 (16)
H(26)	0.0243 (18)	0.0243 (18)	0.0278 (18)	−0.0011 (14)	0.0014 (14)	0.0065 (14)
H(29)	0.0278 (18)	0.0286 (18)	0.0261 (17)	0.0153 (15)	−0.0005 (14)	0.0105 (14)
H(30)	0.0256 (18)	0.032 (2)	0.0277 (19)	0.0093 (16)	−0.0018 (15)	0.0054 (16)
H(31)	0.0291 (19)	0.035 (2)	0.0314 (19)	0.0158 (16)	−0.0002 (15)	0.0011 (16)
H(32)	0.0226 (18)	0.0321 (19)	0.0305 (19)	0.0103 (15)	0.0007 (14)	0.0028 (15)
H(34)	0.0221 (18)	0.0280 (19)	0.034 (2)	0.0118 (15)	0.0023 (15)	0.0056 (16)
H(36)	0.0287 (19)	0.036 (2)	0.035 (2)	0.0185 (17)	0.0067 (15)	0.0093 (16)
H(37)	0.0297 (19)	0.038 (2)	0.0294 (19)	0.0175 (17)	0.0048 (15)	0.0094 (17)
H(38)	0.0291 (19)	0.041 (2)	0.0297 (19)	0.0177 (17)	0.0063 (15)	0.0082 (17)
H(39)	0.0186 (17)	0.037 (2)	0.0330 (19)	0.0138 (15)	0.0064 (14)	0.0125 (16)
H(42)	0.038 (2)	0.0270 (19)	0.0288 (19)	0.0143 (16)	0.0008 (16)	0.0122 (15)
H(43)	0.042 (2)	0.038 (2)	0.028 (2)	0.0146 (18)	−0.0043 (17)	0.0106 (17)
H(44)	0.045 (2)	0.042 (2)	0.032 (2)	0.020 (2)	−0.0029 (18)	0.0060 (18)
H(45)	0.045 (2)	0.040 (2)	0.029 (2)	0.0148 (18)	−0.0072 (17)	0.0086 (17)
H(46)	0.0295 (19)	0.0291 (19)	0.0276 (19)	0.0077 (16)	−0.0045 (15)	0.0015 (15)
H(48)	0.051 (2)	0.040 (2)	0.035 (2)	0.031 (2)	0.0100 (19)	0.0055 (18)
H(49)	0.061 (3)	0.065 (3)	0.050 (3)	0.043 (3)	0.020 (2)	0.010 (2)
H(50)	0.045 (2)	0.068 (3)	0.042 (2)	0.035 (2)	0.0141 (19)	0.012 (2)
H(51)	0.028 (2)	0.049 (2)	0.035 (2)	0.0163 (18)	0.0081 (16)	0.0076 (18)
H(52)	0.0205 (17)	0.0287 (19)	0.035 (2)	0.0019 (15)	0.0086 (15)	0.0078 (16)

Geometric parameters (Å, º)

S(1)—P(1)	1.9552	C(24)—H(24)	1.0830
S(2)—P(2)	1.9484	C(25)—C(26)	1.3902
P(1)—C(1)	1.8275	C(25)—H(25)	1.0830
P(1)—C(15)	1.8248	C(26)—H(26)	1.0830
P(1)—C(21)	1.8249	C(27)—C(28)	1.4243
P(2)—C(27)	1.8279	C(27)—C(40)	1.4242
P(2)—C(41)	1.8278	C(28)—C(29)	1.4371
P(2)—C(47)	1.8261	C(28)—C(33)	1.4407
C(1)—C(2)	1.4227	C(29)—C(30)	1.3715
C(1)—C(14)	1.4213	C(29)—H(29)	1.0830
C(2)—C(3)	1.4341	C(30)—C(31)	1.4238
C(2)—C(7)	1.4365	C(30)—H(30)	1.0830
C(3)—C(4)	1.3683	C(31)—C(32)	1.3681
C(3)—H(3)	1.0830	C(31)—H(31)	1.0830
C(4)—C(5)	1.4238	C(32)—C(33)	1.4312
C(4)—H(4)	1.0830	C(32)—H(32)	1.0830
C(5)—C(6)	1.3637	C(33)—C(34)	1.3988
C(5)—H(5)	1.0830	C(34)—C(35)	1.3960
C(6)—C(7)	1.4321	C(34)—H(34)	1.0830
C(6)—H(6)	1.0830	C(35)—C(36)	1.4314
C(7)—C(8)	1.3938	C(35)—C(40)	1.4392
C(8)—C(9)	1.3974	C(36)—C(37)	1.3662
C(8)—H(8)	1.0830	C(36)—H(36)	1.0830
C(9)—C(10)	1.4272	C(37)—C(38)	1.4248
C(9)—C(14)	1.4384	C(37)—H(37)	1.0830
C(10)—C(11)	1.3652	C(38)—C(39)	1.3727
C(10)—H(10)	1.0830	C(38)—H(38)	1.0830
C(11)—C(12)	1.4227	C(39)—C(40)	1.4343
C(11)—H(11)	1.0830	C(39)—H(39)	1.0830
C(12)—C(13)	1.3700	C(41)—C(42)	1.3983
C(12)—H(12)	1.0830	C(41)—C(46)	1.3965
C(13)—C(14)	1.4314	C(42)—C(43)	1.3929
C(13)—H(13)	1.0830	C(42)—H(42)	1.0830
C(15)—C(16)	1.4012	C(43)—C(44)	1.3916
C(15)—C(20)	1.3956	C(43)—H(43)	1.0830
C(16)—C(17)	1.3924	C(44)—C(45)	1.3929
C(16)—H(16)	1.0830	C(44)—H(44)	1.0830
C(17)—C(18)	1.3972	C(45)—C(46)	1.3951
C(17)—H(17)	1.0830	C(45)—H(45)	1.0830
C(18)—C(19)	1.3912	C(46)—H(46)	1.0830
C(18)—H(18)	1.0830	C(47)—C(48)	1.3948
C(19)—C(20)	1.3995	C(47)—C(52)	1.4000
C(19)—H(19)	1.0830	C(48)—C(49)	1.3954
C(20)—H(20)	1.0830	C(48)—H(48)	1.0830
C(21)—C(22)	1.3929	C(49)—C(50)	1.3914
C(21)—C(26)	1.3996	C(49)—H(49)	1.0830
C(22)—C(23)	1.3950	C(50)—C(51)	1.3945
C(22)—H(22)	1.0830	C(50)—H(50)	1.0830
C(23)—C(24)	1.3898	C(51)—C(52)	1.3912
C(23)—H(23)	1.0830	C(51)—H(51)	1.0830
C(24)—C(25)	1.3950	C(52)—H(52)	1.0830
S(1)—P(1)—C(1)	116.1793	C(24)—C(25)—C(26)	119.8318
S(1)—P(1)—C(15)	112.5185	C(24)—C(25)—H(25)	120.3931
S(1)—P(1)—C(21)	113.0525	C(26)—C(25)—H(25)	119.7749
C(1)—P(1)—C(15)	109.0071	C(21)—C(26)—C(25)	120.2173
C(1)—P(1)—C(21)	103.0856	C(21)—C(26)—H(26)	120.3164
C(15)—P(1)—C(21)	101.6528	C(25)—C(26)—H(26)	119.3557
S(2)—P(2)—C(27)	113.9376	P(2)—C(27)—C(28)	120.6128
S(2)—P(2)—C(41)	112.7928	P(2)—C(27)—C(40)	119.7341
S(2)—P(2)—C(47)	112.9175	C(28)—C(27)—C(40)	119.5478
C(27)—P(2)—C(41)	108.1314	C(27)—C(28)—C(29)	124.0111
C(27)—P(2)—C(47)	107.1116	C(27)—C(28)—C(33)	119.0164
C(41)—P(2)—C(47)	101.0087	C(29)—C(28)—C(33)	116.8151
P(1)—C(1)—C(2)	116.8131	C(28)—C(29)—C(30)	121.3209
P(1)—C(1)—C(14)	123.4395	C(28)—C(29)—H(29)	120.4468
C(2)—C(1)—C(14)	119.6477	C(30)—C(29)—H(29)	118.1120
C(1)—C(2)—C(3)	123.4677	C(29)—C(30)—C(31)	121.0510
C(1)—C(2)—C(7)	119.4474	C(29)—C(30)—H(30)	119.1706
C(3)—C(2)—C(7)	117.0772	C(31)—C(30)—H(30)	119.7680
C(2)—C(3)—C(4)	121.2356	C(30)—C(31)—C(32)	119.8073
C(2)—C(3)—H(3)	119.4958	C(30)—C(31)—H(31)	120.0836
C(4)—C(3)—H(3)	119.1844	C(32)—C(31)—H(31)	120.0716
C(3)—C(4)—C(5)	121.0543	C(31)—C(32)—C(33)	120.5407
C(3)—C(4)—H(4)	119.5441	C(31)—C(32)—H(32)	122.5454
C(5)—C(4)—H(4)	119.3888	C(33)—C(32)—H(32)	116.8861
C(4)—C(5)—C(6)	119.7171	C(28)—C(33)—C(32)	120.1894
C(4)—C(5)—H(5)	118.6615	C(28)—C(33)—C(34)	119.8612
C(6)—C(5)—H(5)	121.4833	C(32)—C(33)—C(34)	119.9156
C(5)—C(6)—C(7)	120.6879	C(33)—C(34)—C(35)	121.1879
C(5)—C(6)—H(6)	122.5605	C(33)—C(34)—H(34)	119.8584
C(7)—C(6)—H(6)	116.7005	C(35)—C(34)—H(34)	118.9018
C(2)—C(7)—C(6)	119.9432	C(34)—C(35)—C(36)	120.1003
C(2)—C(7)—C(8)	119.5054	C(34)—C(35)—C(40)	119.7662
C(6)—C(7)—C(8)	120.5430	C(36)—C(35)—C(40)	120.1014
C(7)—C(8)—C(9)	121.2558	C(35)—C(36)—C(37)	120.6824
C(7)—C(8)—H(8)	118.0952	C(35)—C(36)—H(36)	117.8906
C(9)—C(8)—H(8)	120.5901	C(37)—C(36)—H(36)	121.4058
C(8)—C(9)—C(10)	119.7973	C(36)—C(37)—C(38)	119.6676
C(8)—C(9)—C(14)	120.0562	C(36)—C(37)—H(37)	121.5029
C(10)—C(9)—C(14)	120.1287	C(38)—C(37)—H(37)	118.7988
C(9)—C(10)—C(11)	121.1224	C(37)—C(38)—C(39)	121.1023
C(9)—C(10)—H(10)	117.5403	C(37)—C(38)—H(38)	119.5959
C(11)—C(10)—H(10)	121.2597	C(39)—C(38)—H(38)	119.2935
C(10)—C(11)—C(12)	119.1734	C(38)—C(39)—C(40)	121.2294
C(10)—C(11)—H(11)	121.2923	C(38)—C(39)—H(39)	119.5768
C(12)—C(11)—H(11)	119.4236	C(40)—C(39)—H(39)	118.9709
C(11)—C(12)—C(13)	121.3229	C(27)—C(40)—C(35)	119.2665
C(11)—C(12)—H(12)	118.5846	C(27)—C(40)—C(39)	123.5831
C(13)—C(12)—H(12)	120.0275	C(35)—C(40)—C(39)	117.0035
C(12)—C(13)—C(14)	121.4233	P(2)—C(41)—C(42)	121.8119
C(12)—C(13)—H(13)	119.7436	P(2)—C(41)—C(46)	118.4656
C(14)—C(13)—H(13)	118.6473	C(42)—C(41)—C(46)	119.5428
C(1)—C(14)—C(9)	118.8816	C(41)—C(42)—C(43)	119.9460
C(1)—C(14)—C(13)	124.2486	C(41)—C(42)—H(42)	121.6181
C(9)—C(14)—C(13)	116.7834	C(43)—C(42)—H(42)	118.4324
P(1)—C(15)—C(16)	120.7807	C(42)—C(43)—C(44)	120.4306
P(1)—C(15)—C(20)	119.3950	C(42)—C(43)—H(43)	118.9978
C(16)—C(15)—C(20)	119.7502	C(44)—C(43)—H(43)	120.5709
C(15)—C(16)—C(17)	120.1221	C(43)—C(44)—C(45)	119.7796
C(15)—C(16)—H(16)	120.6882	C(43)—C(44)—H(44)	119.5999
C(17)—C(16)—H(16)	119.1737	C(45)—C(44)—H(44)	120.6194
C(16)—C(17)—C(18)	120.0379	C(44)—C(45)—C(46)	120.0328
C(16)—C(17)—H(17)	119.5916	C(44)—C(45)—H(45)	120.4753
C(18)—C(17)—H(17)	120.3705	C(46)—C(45)—H(45)	119.4884
C(17)—C(18)—C(19)	119.9737	C(41)—C(46)—C(45)	120.2508
C(17)—C(18)—H(18)	119.7934	C(41)—C(46)—H(46)	118.8682
C(19)—C(18)—H(18)	120.2246	C(45)—C(46)—H(46)	120.8809
C(18)—C(19)—C(20)	120.1667	P(2)—C(47)—C(48)	118.4578
C(18)—C(19)—H(19)	120.1467	P(2)—C(47)—C(52)	121.8935
C(20)—C(19)—H(19)	119.6865	C(48)—C(47)—C(52)	119.6098
C(15)—C(20)—C(19)	119.9330	C(47)—C(48)—C(49)	120.1639
C(15)—C(20)—H(20)	119.5237	C(47)—C(48)—H(48)	119.0803
C(19)—C(20)—H(20)	120.5426	C(49)—C(48)—H(48)	120.7553
P(1)—C(21)—C(22)	119.1276	C(48)—C(49)—C(50)	120.2302
P(1)—C(21)—C(26)	121.1840	C(48)—C(49)—H(49)	119.4156
C(22)—C(21)—C(26)	119.6743	C(50)—C(49)—H(49)	120.3513
C(21)—C(22)—C(23)	120.0528	C(49)—C(50)—C(51)	119.5990
C(21)—C(22)—H(22)	118.8035	C(49)—C(50)—H(50)	120.5257
C(23)—C(22)—H(22)	121.0995	C(51)—C(50)—H(50)	119.8751
C(22)—C(23)—C(24)	120.0504	C(50)—C(51)—C(52)	120.4915
C(22)—C(23)—H(23)	119.7995	C(50)—C(51)—H(51)	120.4050
C(24)—C(23)—H(23)	120.1430	C(52)—C(51)—H(51)	119.1018
C(23)—C(24)—C(25)	120.1425	C(47)—C(52)—C(51)	119.9049
C(23)—C(24)—H(24)	120.0890	C(47)—C(52)—H(52)	121.0225
C(25)—C(24)—H(24)	119.7638	C(51)—C(52)—H(52)	119.0202

(SPAnH_AnisoQ0)

Crystal data

C26H19PS	Z = 4
Mr = 394.44	F(000) = 824
Triclinic, P1	Dx = 1.327 Mg m^−3
a = 10.223 (2) Å	Cell parameters from 9960 reflections
b = 12.326 (2) Å	θ = 1.2–54.7°
c = 17.357 (3) Å	µ = 0.25 mm^−1
α = 101.55 (2)°	T = 100 K
β = 91.23 (2)°	Block, yellow
γ = 112.05 (2)°	0.22 × 0.19 × 0.11 mm
V = 1974.8 (7) Å^3

Data collection

Bruker Smart APEX II Ultra diffractometer	41917 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.023
Absorption correction: multi-scan SADABS-2016/2	θmax = 54.7°, θmin = 1.2°
Tmin = 0.946, Tmax = 0.973	h = −23→23
299913 measured reflections	k = −28→28
48281 independent reflections	l = −39→39

Refinement

Refinement on F^2	1044 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.014	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.021	(Δ/σ)max < 0.001
S = 1.54	Δρmax = 0.18 e Å^−3
41640 reflections	Δρmin = −0.20 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.338710 (8)	0.550029 (7)	0.771169 (4)	0.015
S(2)	0.790617 (10)	0.537316 (7)	0.663487 (5)	0.021
P(1)	0.240530 (3)	0.387120 (3)	0.786503 (2)	0.01
P(2)	0.897290 (8)	0.702385 (6)	0.655782 (4)	0.012
C(1)	0.171020 (11)	0.374958 (10)	0.881910 (6)	0.011
C(2)	0.039150 (12)	0.387532 (10)	0.891256 (6)	0.011
C(3)	−0.021017 (13)	0.439070 (11)	0.840370 (6)	0.013
C(4)	−0.151135 (13)	0.444530 (12)	0.849779 (7)	0.016
C(5)	−0.23240 (3)	0.39753 (3)	0.909779 (19)	0.018
C(6)	−0.176484 (13)	0.353053 (13)	0.961980 (8)	0.016
C(7)	−0.038896 (12)	0.349043 (10)	0.955328 (6)	0.012
C(8)	0.021298 (12)	0.309866 (11)	1.011353 (7)	0.013
C(9)	0.159550 (12)	0.313817 (10)	1.009074 (6)	0.011
C(10)	0.224313 (13)	0.287351 (11)	1.072641 (7)	0.014
C(11)	0.361303 (14)	0.295534 (12)	1.073726 (7)	0.016
C(12)	0.44079 (3)	0.33228 (3)	1.010645 (18)	0.018
C(13)	0.381476 (12)	0.356712 (12)	0.948080 (7)	0.015
C(14)	0.237515 (11)	0.347349 (10)	0.943790 (6)	0.011
C(15)	0.347442 (11)	0.296699 (10)	0.767151 (6)	0.011
C(16)	0.295337 (13)	0.177707 (11)	0.775857 (8)	0.015
C(17)	0.375686 (14)	0.108216 (11)	0.757686 (8)	0.016
C(18)	0.507354 (14)	0.156323 (12)	0.729296 (8)	0.017
C(19)	0.558967 (13)	0.274192 (11)	0.720094 (7)	0.015
C(20)	0.479728 (12)	0.345051 (10)	0.739673 (7)	0.013
C(21)	0.084036 (12)	0.298658 (10)	0.715628 (6)	0.011
C(22)	0.067445 (14)	0.337647 (11)	0.647451 (7)	0.015
C(23)	−0.054625 (16)	0.274524 (14)	0.594359 (8)	0.019
C(24)	−0.15935 (3)	0.17206 (3)	0.609074 (18)	0.019
C(25)	−0.141681 (14)	0.130922 (12)	0.676271 (8)	0.017
C(26)	−0.020474 (13)	0.194201 (11)	0.729467 (7)	0.014
C(27)	0.925901 (12)	0.813232 (10)	0.748496 (6)	0.011
C(28)	1.048265 (12)	0.847137 (10)	0.802855 (6)	0.011
C(29)	1.140706 (13)	0.782959 (11)	0.798685 (7)	0.013
C(30)	1.255451 (13)	0.818598 (12)	0.853822 (7)	0.016
C(31)	1.288813 (14)	0.922164 (13)	0.916395 (8)	0.017
C(32)	1.201650 (13)	0.984189 (12)	0.924288 (7)	0.016
C(33)	1.077534 (12)	0.946289 (10)	0.869813 (6)	0.012
C(34)	0.981935 (13)	1.003081 (10)	0.883044 (7)	0.013
C(35)	0.852176 (13)	0.959297 (10)	0.836354 (6)	0.012
C(36)	0.748734 (14)	1.009494 (12)	0.857104 (8)	0.016
C(37)	0.616415 (15)	0.960103 (13)	0.816460 (8)	0.018
C(38)	0.581198 (14)	0.857873 (14)	0.752545 (8)	0.018
C(39)	0.679935 (13)	0.810908 (12)	0.728818 (7)	0.015
C(40)	0.820901 (12)	0.860896 (10)	0.768806 (6)	0.012
C(41)	0.815808 (13)	0.746836 (10)	0.579336 (6)	0.013
C(42)	0.869499 (14)	0.864431 (12)	0.568405 (7)	0.016
C(43)	0.81299 (4)	0.89189 (3)	0.504681 (18)	0.019
C(44)	0.70259 (4)	0.80308 (3)	0.451915 (18)	0.021
C(45)	0.64713 (4)	0.68629 (3)	0.463436 (18)	0.021
C(46)	0.70364 (3)	0.65820 (3)	0.526999 (17)	0.017
C(47)	1.07131 (3)	0.72516 (3)	0.621510 (15)	0.014
C(48)	1.10159 (4)	0.62437 (3)	0.591598 (18)	0.021
C(49)	1.23143 (4)	0.63785 (4)	0.56214 (2)	0.028
C(50)	1.33138 (4)	0.75186 (4)	0.56244 (2)	0.028
C(51)	1.30125 (4)	0.85263 (4)	0.592606 (19)	0.023
C(52)	1.17194 (3)	0.83984 (3)	0.621970 (17)	0.017
H(3)	0.03987	0.478802	0.795682	0.029
H(4)	−0.192125	0.486921	0.811828	0.032
H(5)	−0.334797	0.40381	0.915243	0.039
H(6)	−0.230396	0.322879	1.011426	0.034
H(8)	−0.040361	0.279935	1.058543	0.031
H(10)	0.162715	0.265186	1.121374	0.032
H(11)	0.412522	0.280007	1.123296	0.037
H(12)	0.551656	0.344977	1.014223	0.04
H(13)	0.446497	0.390748	0.903052	0.034
H(16)	0.193685	0.139243	0.798018	0.032
H(17)	0.335503	0.01693	0.76575	0.034
H(18)	0.5697	0.10209	0.715476	0.033
H(19)	0.660695	0.31156	0.697772	0.033
H(20)	0.519967	0.437247	0.733407	0.03
H(22)	0.148636	0.419181	0.637888	0.034
H(23)	−0.068262	0.306396	0.542159	0.041
H(24)	−0.255539	0.124535	0.568798	0.039
H(25)	−0.221719	0.049823	0.687178	0.036
H(26)	−0.010875	0.165045	0.783416	0.032
H(29)	1.117258	0.701346	0.753829	0.029
H(30)	1.320194	0.765858	0.850095	0.033
H(31)	1.3808	0.949881	0.958877	0.036
H(32)	1.220309	1.061402	0.972163	0.033
H(34)	1.006239	1.080176	0.931814	0.031
H(36)	0.777891	1.085897	0.90681	0.034
H(37)	0.535807	0.995038	0.832853	0.035
H(38)	0.474349	0.815429	0.722732	0.036
H(39)	0.648644	0.729939	0.68249	0.031
H(42)	0.954063	0.93611	0.608852	0.033
H(43)	0.855894	0.983384	0.49703	0.039
H(44)	0.660172	0.825647	0.402444	0.044
H(45)	0.560902	0.616505	0.422945	0.043
H(46)	0.661489	0.567859	0.536776	0.034
H(48)	1.023375	0.536047	0.591823	0.042
H(49)	1.253229	0.558845	0.538554	0.057
H(50)	1.432252	0.762815	0.539618	0.052
H(51)	1.378545	0.941933	0.593892	0.041
H(52)	1.152898	0.919668	0.647213	0.034

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.016451 (12)	0.010793 (10)	0.018674 (12)	0.004081 (9)	0.003064 (9)	0.005350 (8)
S(2)	0.02908 (4)	0.01212 (3)	0.01727 (3)	0.00351 (3)	0.00259 (3)	0.00547 (2)
P(1)	0.010762 (10)	0.010257 (9)	0.009371 (9)	0.004294 (8)	0.002103 (7)	0.003416 (7)
P(2)	0.015566 (12)	0.010455 (10)	0.008939 (9)	0.004906 (9)	0.001728 (8)	0.002361 (7)
C(1)	0.01114 (3)	0.01383 (3)	0.00902 (3)	0.00591 (3)	0.00182 (2)	0.00343 (3)
C(2)	0.01149 (3)	0.01429 (3)	0.00965 (3)	0.00641 (3)	0.00184 (3)	0.00306 (3)
C(3)	0.01439 (4)	0.01696 (4)	0.01110 (3)	0.00893 (3)	0.00175 (3)	0.00381 (3)
C(4)	0.01481 (4)	0.02126 (5)	0.01388 (4)	0.01052 (4)	0.00118 (3)	0.00434 (3)
C(5)	0.01323 (4)	0.02738 (6)	0.01787 (4)	0.01096 (4)	0.00312 (3)	0.00759 (4)
C(6)	0.01233 (4)	0.02414 (5)	0.01605 (4)	0.00893 (4)	0.00422 (3)	0.00725 (4)
C(7)	0.01120 (3)	0.01621 (4)	0.01102 (3)	0.00621 (3)	0.00248 (3)	0.00403 (3)
C(8)	0.01209 (3)	0.01667 (4)	0.01143 (3)	0.00593 (3)	0.00314 (3)	0.00531 (3)
C(9)	0.01169 (3)	0.01318 (3)	0.00972 (3)	0.00488 (3)	0.00171 (3)	0.00392 (3)
C(10)	0.01442 (4)	0.01694 (4)	0.01164 (3)	0.00598 (3)	0.00161 (3)	0.00642 (3)
C(11)	0.01474 (4)	0.02226 (5)	0.01405 (4)	0.00739 (4)	0.00039 (3)	0.00824 (3)
C(12)	0.01288 (4)	0.02948 (6)	0.01545 (4)	0.00925 (4)	0.00134 (3)	0.00999 (4)
C(13)	0.01111 (3)	0.02349 (5)	0.01253 (3)	0.00727 (3)	0.00179 (3)	0.00717 (3)
C(14)	0.01055 (3)	0.01340 (3)	0.00942 (3)	0.00493 (3)	0.00129 (2)	0.00357 (3)
C(15)	0.01150 (3)	0.01166 (3)	0.01221 (3)	0.00496 (3)	0.00315 (3)	0.00428 (3)
C(16)	0.01416 (4)	0.01304 (4)	0.01996 (4)	0.00627 (3)	0.00557 (3)	0.00744 (3)
C(17)	0.01644 (4)	0.01397 (4)	0.02229 (5)	0.00794 (3)	0.00454 (4)	0.00703 (3)
C(18)	0.01540 (4)	0.01647 (4)	0.02091 (5)	0.00905 (4)	0.00383 (3)	0.00525 (3)
C(19)	0.01238 (4)	0.01613 (4)	0.01829 (4)	0.00650 (3)	0.00416 (3)	0.00442 (3)
C(20)	0.01159 (3)	0.01287 (3)	0.01423 (4)	0.00453 (3)	0.00346 (3)	0.00394 (3)
C(21)	0.01278 (3)	0.01218 (3)	0.00934 (3)	0.00494 (3)	0.00142 (3)	0.00347 (3)
C(22)	0.01744 (4)	0.01711 (4)	0.01080 (3)	0.00639 (4)	0.00104 (3)	0.00577 (3)
C(23)	0.02185 (5)	0.02249 (5)	0.01248 (4)	0.00764 (4)	−0.00261 (3)	0.00527 (4)
C(24)	0.01868 (5)	0.02056 (5)	0.01536 (4)	0.00589 (4)	−0.00410 (4)	0.00171 (4)
C(25)	0.01553 (4)	0.01539 (4)	0.01638 (4)	0.00300 (3)	−0.00142 (3)	0.00252 (3)
C(26)	0.01465 (4)	0.01315 (3)	0.01282 (3)	0.00309 (3)	0.00005 (3)	0.00438 (3)
C(27)	0.01287 (3)	0.01223 (3)	0.00912 (3)	0.00540 (3)	0.00172 (3)	0.00222 (3)
C(28)	0.01232 (3)	0.01218 (3)	0.00951 (3)	0.00504 (3)	0.00189 (3)	0.00233 (3)
C(29)	0.01500 (4)	0.01587 (4)	0.01131 (3)	0.00811 (3)	0.00213 (3)	0.00312 (3)
C(30)	0.01452 (4)	0.02070 (5)	0.01419 (4)	0.00889 (4)	0.00187 (3)	0.00429 (3)
C(31)	0.01327 (4)	0.02182 (5)	0.01538 (4)	0.00608 (4)	−0.00055 (3)	0.00220 (4)
C(32)	0.01374 (4)	0.01664 (4)	0.01368 (4)	0.00396 (3)	−0.00041 (3)	0.00027 (3)
C(33)	0.01251 (3)	0.01202 (3)	0.01101 (3)	0.00401 (3)	0.00155 (3)	0.00141 (3)
C(34)	0.01485 (4)	0.01188 (3)	0.01282 (3)	0.00516 (3)	0.00219 (3)	0.00091 (3)
C(35)	0.01445 (4)	0.01233 (3)	0.01198 (3)	0.00647 (3)	0.00318 (3)	0.00314 (3)
C(36)	0.01834 (4)	0.01658 (4)	0.01673 (4)	0.01042 (4)	0.00525 (3)	0.00457 (3)
C(37)	0.01785 (5)	0.02293 (5)	0.01904 (4)	0.01275 (4)	0.00555 (4)	0.00790 (4)
C(38)	0.01470 (4)	0.02475 (5)	0.01642 (4)	0.00985 (4)	0.00288 (3)	0.00710 (4)
C(39)	0.01331 (4)	0.01943 (4)	0.01255 (3)	0.00669 (3)	0.00145 (3)	0.00392 (3)
C(40)	0.01281 (3)	0.01303 (3)	0.01031 (3)	0.00575 (3)	0.00222 (3)	0.00332 (3)
C(41)	0.01580 (4)	0.01341 (4)	0.00983 (3)	0.00539 (3)	0.00054 (3)	0.00224 (3)
C(42)	0.01942 (4)	0.01475 (4)	0.01371 (4)	0.00608 (4)	−0.00056 (3)	0.00462 (3)
C(43)	0.02512 (5)	0.02015 (5)	0.01530 (4)	0.01099 (4)	0.00024 (4)	0.00666 (4)
C(44)	0.02623 (6)	0.02624 (6)	0.01343 (4)	0.01420 (5)	−0.00190 (4)	0.00396 (4)
C(45)	0.02270 (5)	0.02374 (5)	0.01438 (4)	0.00915 (5)	−0.00448 (4)	0.00047 (4)
C(46)	0.01877 (5)	0.01649 (4)	0.01297 (4)	0.00523 (4)	−0.00178 (3)	0.00073 (3)
C(47)	0.01864 (4)	0.01636 (4)	0.01047 (3)	0.00994 (4)	0.00323 (3)	0.00295 (3)
C(48)	0.02991 (6)	0.02248 (5)	0.01611 (4)	0.01811 (5)	0.00501 (4)	0.00306 (4)
C(49)	0.03450 (8)	0.03841 (9)	0.02215 (6)	0.02759 (8)	0.00818 (5)	0.00403 (5)
C(50)	0.02405 (6)	0.04718 (10)	0.02012 (5)	0.02214 (7)	0.00754 (5)	0.00613 (6)
C(51)	0.01681 (5)	0.03437 (7)	0.01862 (5)	0.01011 (5)	0.00529 (4)	0.00635 (5)
C(52)	0.01610 (4)	0.02006 (5)	0.01586 (4)	0.00760 (4)	0.00430 (3)	0.00429 (3)
H(3)	0.0330 (18)	0.0367 (19)	0.0280 (17)	0.0230 (15)	0.0051 (14)	0.0114 (15)
H(4)	0.0291 (17)	0.044 (2)	0.0310 (18)	0.0182 (15)	0.0044 (14)	0.0144 (16)
H(5)	0.0276 (19)	0.062 (2)	0.043 (2)	0.0288 (18)	0.0109 (16)	0.0252 (18)
H(6)	0.0244 (17)	0.053 (2)	0.0319 (19)	0.0172 (16)	0.0106 (14)	0.0214 (17)
H(8)	0.039 (2)	0.0318 (19)	0.0237 (17)	0.0124 (15)	−0.0013 (15)	0.0105 (15)
H(10)	0.0269 (17)	0.045 (2)	0.0289 (18)	0.0170 (15)	0.0053 (14)	0.0149 (15)
H(11)	0.0298 (18)	0.057 (2)	0.0300 (19)	0.0195 (17)	−0.0006 (14)	0.0198 (17)
H(12)	0.0212 (18)	0.067 (3)	0.039 (2)	0.0189 (17)	0.0062 (15)	0.0269 (18)
H(13)	0.0229 (16)	0.053 (2)	0.0307 (18)	0.0151 (15)	0.0087 (14)	0.0206 (16)
H(16)	0.0280 (18)	0.0240 (16)	0.048 (2)	0.0104 (14)	0.0171 (15)	0.0152 (15)
H(17)	0.0319 (18)	0.0246 (18)	0.051 (2)	0.0131 (15)	0.0116 (16)	0.0136 (16)
H(18)	0.0305 (18)	0.0333 (19)	0.045 (2)	0.0202 (15)	0.0086 (15)	0.0110 (16)
H(19)	0.0272 (18)	0.0313 (18)	0.043 (2)	0.0119 (15)	0.0131 (15)	0.0128 (15)
H(20)	0.0259 (16)	0.0260 (18)	0.0368 (19)	0.0073 (14)	0.0070 (14)	0.0097 (14)
H(22)	0.0328 (19)	0.033 (2)	0.0307 (18)	0.0054 (16)	−0.0018 (14)	0.0131 (15)
H(23)	0.040 (2)	0.047 (2)	0.032 (2)	0.0085 (17)	−0.0048 (16)	0.0189 (17)
H(24)	0.037 (2)	0.040 (2)	0.0331 (19)	0.0090 (17)	−0.0133 (16)	0.0061 (16)
H(25)	0.0274 (18)	0.0298 (19)	0.040 (2)	−0.0026 (15)	−0.0049 (15)	0.0119 (15)
H(26)	0.0325 (18)	0.0315 (18)	0.0250 (17)	0.0016 (14)	0.0005 (14)	0.0130 (14)
H(29)	0.0356 (18)	0.0268 (18)	0.0266 (17)	0.0167 (15)	−0.0020 (14)	0.0033 (14)
H(30)	0.0292 (18)	0.0360 (19)	0.0368 (19)	0.0179 (15)	−0.0003 (14)	0.0063 (15)
H(31)	0.0281 (18)	0.044 (2)	0.0338 (19)	0.0153 (16)	−0.0084 (15)	−0.0012 (16)
H(32)	0.0301 (17)	0.0307 (19)	0.0315 (18)	0.0109 (15)	−0.0004 (14)	−0.0045 (15)
H(34)	0.0293 (18)	0.0275 (18)	0.0340 (19)	0.0124 (14)	0.0007 (14)	−0.0020 (15)
H(36)	0.0356 (19)	0.035 (2)	0.0336 (19)	0.0187 (16)	0.0043 (15)	0.0014 (16)
H(37)	0.0315 (19)	0.046 (2)	0.0381 (19)	0.0257 (17)	0.0087 (15)	0.0096 (16)
H(38)	0.0239 (18)	0.048 (2)	0.0354 (19)	0.0147 (17)	−0.0003 (15)	0.0069 (17)
H(39)	0.0251 (17)	0.035 (2)	0.0333 (19)	0.0139 (15)	0.0038 (14)	0.0040 (16)
H(42)	0.038 (2)	0.0268 (18)	0.0313 (18)	0.0086 (16)	−0.0056 (15)	0.0075 (15)
H(43)	0.049 (2)	0.032 (2)	0.036 (2)	0.0118 (17)	−0.0038 (16)	0.0148 (16)
H(44)	0.053 (2)	0.052 (2)	0.031 (2)	0.0249 (19)	−0.0073 (17)	0.0111 (17)
H(45)	0.046 (2)	0.041 (2)	0.0311 (19)	0.0085 (18)	−0.0157 (17)	0.0035 (17)
H(46)	0.0364 (19)	0.0227 (18)	0.0370 (19)	0.0049 (15)	−0.0033 (15)	0.0057 (15)
H(48)	0.052 (2)	0.033 (2)	0.045 (2)	0.0229 (19)	0.0113 (18)	0.0075 (17)
H(49)	0.072 (3)	0.062 (3)	0.058 (3)	0.051 (2)	0.023 (2)	0.007 (2)
H(50)	0.040 (2)	0.080 (3)	0.051 (2)	0.038 (2)	0.0227 (19)	0.017 (2)
H(51)	0.0292 (19)	0.043 (2)	0.045 (2)	0.0082 (17)	0.0088 (16)	0.0090 (18)
H(52)	0.0286 (17)	0.0260 (18)	0.042 (2)	0.0069 (14)	0.0113 (15)	0.0041 (15)

Geometric parameters (Å, º)

S(1)—P(1)	1.9552 (1)	C(24)—H(24)	1.0830 (3)
S(2)—P(2)	1.9484 (1)	C(25)—C(26)	1.3904 (2)
P(1)—C(1)	1.8275 (1)	C(25)—H(25)	1.0830 (1)
P(1)—C(15)	1.8248 (1)	C(26)—H(26)	1.0830 (1)
P(1)—C(21)	1.8249 (1)	C(27)—C(28)	1.4243 (1)
P(2)—C(27)	1.8279 (1)	C(27)—C(40)	1.4242 (2)
P(2)—C(41)	1.8278 (1)	C(28)—C(29)	1.4372 (2)
P(2)—C(47)	1.8262 (3)	C(28)—C(33)	1.4407 (1)
C(1)—C(2)	1.4227 (1)	C(29)—C(30)	1.3717 (2)
C(1)—C(14)	1.4213 (1)	C(29)—H(29)	1.0830 (1)
C(2)—C(3)	1.4341 (2)	C(30)—C(31)	1.4239 (2)
C(2)—C(7)	1.4365 (1)	C(30)—H(30)	1.0830 (1)
C(3)—C(4)	1.3685 (2)	C(31)—C(32)	1.3682 (2)
C(3)—H(3)	1.0830 (1)	C(31)—H(31)	1.0830 (1)
C(4)—C(5)	1.4240 (3)	C(32)—C(33)	1.4313 (2)
C(4)—H(4)	1.0830 (1)	C(32)—H(32)	1.0830 (1)
C(5)—C(6)	1.3639 (3)	C(33)—C(34)	1.3989 (2)
C(5)—H(5)	1.0830 (3)	C(34)—C(35)	1.3960 (2)
C(6)—C(7)	1.4322 (2)	C(34)—H(34)	1.0830 (1)
C(6)—H(6)	1.0830 (1)	C(35)—C(36)	1.4315 (2)
C(7)—C(8)	1.3939 (2)	C(35)—C(40)	1.4392 (2)
C(8)—C(9)	1.3975 (2)	C(36)—C(37)	1.3663 (2)
C(8)—H(8)	1.0830 (1)	C(36)—H(36)	1.0830 (1)
C(9)—C(10)	1.4272 (2)	C(37)—C(38)	1.4250 (2)
C(9)—C(14)	1.4384 (1)	C(37)—H(37)	1.0830 (1)
C(10)—C(11)	1.3652 (2)	C(38)—C(39)	1.3728 (2)
C(10)—H(10)	1.0830 (1)	C(38)—H(38)	1.0830 (1)
C(11)—C(12)	1.4229 (3)	C(39)—C(40)	1.4343 (2)
C(11)—H(11)	1.0830 (1)	C(39)—H(39)	1.0830 (1)
C(12)—C(13)	1.3702 (3)	C(41)—C(42)	1.3984 (2)
C(12)—H(12)	1.0830 (3)	C(41)—C(46)	1.3968 (3)
C(13)—C(14)	1.4315 (2)	C(42)—C(43)	1.3932 (3)
C(13)—H(13)	1.0830 (1)	C(42)—H(42)	1.0830 (1)
C(15)—C(16)	1.4012 (2)	C(43)—C(44)	1.3919 (5)
C(15)—C(20)	1.3957 (1)	C(43)—H(43)	1.0830 (3)
C(16)—C(17)	1.3925 (2)	C(44)—C(45)	1.3932 (5)
C(16)—H(16)	1.0830 (1)	C(44)—H(44)	1.0830 (3)
C(17)—C(18)	1.3973 (2)	C(45)—C(46)	1.3953 (4)
C(17)—H(17)	1.0830 (1)	C(45)—H(45)	1.0830 (3)
C(18)—C(19)	1.3913 (2)	C(46)—H(46)	1.0830 (3)
C(18)—H(18)	1.0830 (1)	C(47)—C(48)	1.3950 (4)
C(19)—C(20)	1.3995 (2)	C(47)—C(52)	1.3999 (4)
C(19)—H(19)	1.0830 (1)	C(48)—C(49)	1.3958 (5)
C(20)—H(20)	1.0830 (1)	C(48)—H(48)	1.0830 (4)
C(21)—C(22)	1.3930 (1)	C(49)—C(50)	1.3920 (6)
C(21)—C(26)	1.3996 (2)	C(49)—H(49)	1.0830 (4)
C(22)—C(23)	1.3951 (2)	C(50)—C(51)	1.3949 (6)
C(22)—H(22)	1.0830 (1)	C(50)—H(50)	1.0830 (4)
C(23)—C(24)	1.3900 (4)	C(51)—C(52)	1.3917 (4)
C(23)—H(23)	1.0830 (1)	C(51)—H(51)	1.0830 (4)
C(24)—C(25)	1.3952 (3)	C(52)—H(52)	1.0830 (3)
S(1)—P(1)—C(1)	116.180 (4)	C(24)—C(25)—C(26)	119.838 (16)
S(1)—P(1)—C(15)	112.519 (4)	C(24)—C(25)—H(25)	120.387 (17)
S(1)—P(1)—C(21)	113.052 (4)	C(26)—C(25)—H(25)	119.774 (12)
C(1)—P(1)—C(15)	109.008 (5)	C(21)—C(26)—C(25)	120.213 (11)
C(1)—P(1)—C(21)	103.085 (5)	C(21)—C(26)—H(26)	120.342 (11)
C(15)—P(1)—C(21)	101.652 (5)	C(25)—C(26)—H(26)	119.334 (11)
S(2)—P(2)—C(27)	113.939 (5)	P(2)—C(27)—C(28)	120.613 (8)
S(2)—P(2)—C(41)	112.793 (6)	P(2)—C(27)—C(40)	119.735 (8)
S(2)—P(2)—C(47)	112.922 (10)	C(28)—C(27)—C(40)	119.547 (10)
C(27)—P(2)—C(41)	108.129 (6)	C(27)—C(28)—C(29)	124.006 (10)
C(27)—P(2)—C(47)	107.112 (10)	C(27)—C(28)—C(33)	119.016 (10)
C(41)—P(2)—C(47)	101.003 (9)	C(29)—C(28)—C(33)	116.820 (10)
P(1)—C(1)—C(2)	116.812 (8)	C(28)—C(29)—C(30)	121.319 (11)
P(1)—C(1)—C(14)	123.439 (8)	C(28)—C(29)—H(29)	120.452 (10)
C(2)—C(1)—C(14)	119.648 (9)	C(30)—C(29)—H(29)	118.109 (11)
C(1)—C(2)—C(3)	123.464 (10)	C(29)—C(30)—C(31)	121.049 (12)
C(1)—C(2)—C(7)	119.446 (10)	C(29)—C(30)—H(30)	119.183 (12)
C(3)—C(2)—C(7)	117.082 (10)	C(31)—C(30)—H(30)	119.758 (12)
C(2)—C(3)—C(4)	121.230 (11)	C(30)—C(31)—C(32)	119.809 (11)
C(2)—C(3)—H(3)	119.499 (10)	C(30)—C(31)—H(31)	120.092 (13)
C(4)—C(3)—H(3)	119.187 (11)	C(32)—C(31)—H(31)	120.061 (13)
C(3)—C(4)—C(5)	121.062 (15)	C(31)—C(32)—C(33)	120.536 (11)
C(3)—C(4)—H(4)	119.551 (12)	C(31)—C(32)—H(32)	122.545 (12)
C(5)—C(4)—H(4)	119.375 (16)	C(33)—C(32)—H(32)	116.891 (12)
C(4)—C(5)—C(6)	119.70 (2)	C(28)—C(33)—C(32)	120.191 (11)
C(4)—C(5)—H(5)	118.67 (3)	C(28)—C(33)—C(34)	119.866 (10)
C(6)—C(5)—H(5)	121.48 (3)	C(32)—C(33)—C(34)	119.909 (10)
C(5)—C(6)—C(7)	120.692 (16)	C(33)—C(34)—C(35)	121.181 (11)
C(5)—C(6)—H(6)	122.548 (16)	C(33)—C(34)—H(34)	119.863 (11)
C(7)—C(6)—H(6)	116.710 (11)	C(35)—C(34)—H(34)	118.905 (11)
C(2)—C(7)—C(6)	119.947 (10)	C(34)—C(35)—C(36)	120.094 (11)
C(2)—C(7)—C(8)	119.512 (10)	C(34)—C(35)—C(40)	119.771 (10)
C(6)—C(7)—C(8)	120.533 (10)	C(36)—C(35)—C(40)	120.103 (11)
C(7)—C(8)—C(9)	121.246 (10)	C(35)—C(36)—C(37)	120.680 (12)
C(7)—C(8)—H(8)	118.102 (10)	C(35)—C(36)—H(36)	117.895 (12)
C(9)—C(8)—H(8)	120.593 (10)	C(37)—C(36)—H(36)	121.404 (12)
C(8)—C(9)—C(10)	119.790 (10)	C(36)—C(37)—C(38)	119.667 (12)
C(8)—C(9)—C(14)	120.061 (10)	C(36)—C(37)—H(37)	121.513 (14)
C(10)—C(9)—C(14)	120.131 (10)	C(38)—C(37)—H(37)	118.788 (13)
C(9)—C(10)—C(11)	121.119 (11)	C(37)—C(38)—C(39)	121.102 (12)
C(9)—C(10)—H(10)	117.543 (11)	C(37)—C(38)—H(38)	119.603 (12)
C(11)—C(10)—H(10)	121.260 (11)	C(39)—C(38)—H(38)	119.287 (13)
C(10)—C(11)—C(12)	119.180 (15)	C(38)—C(39)—C(40)	121.225 (12)
C(10)—C(11)—H(11)	121.305 (12)	C(38)—C(39)—H(39)	119.574 (12)
C(12)—C(11)—H(11)	119.404 (16)	C(40)—C(39)—H(39)	118.978 (11)
C(11)—C(12)—C(13)	121.31 (2)	C(27)—C(40)—C(35)	119.265 (10)
C(11)—C(12)—H(12)	118.60 (2)	C(27)—C(40)—C(39)	123.578 (10)
C(13)—C(12)—H(12)	120.03 (3)	C(35)—C(40)—C(39)	117.010 (10)
C(12)—C(13)—C(14)	121.427 (16)	P(2)—C(41)—C(42)	121.808 (9)
C(12)—C(13)—H(13)	119.736 (16)	P(2)—C(41)—C(46)	118.458 (15)
C(14)—C(13)—H(13)	118.651 (10)	C(42)—C(41)—C(46)	119.554 (17)
C(1)—C(14)—C(9)	118.881 (10)	C(41)—C(42)—C(43)	119.946 (17)
C(1)—C(14)—C(13)	124.245 (10)	C(41)—C(42)—H(42)	121.644 (11)
C(9)—C(14)—C(13)	116.787 (10)	C(43)—C(42)—H(42)	118.406 (17)
P(1)—C(15)—C(16)	120.776 (8)	C(42)—C(43)—C(44)	120.42 (3)
P(1)—C(15)—C(20)	119.391 (8)	C(42)—C(43)—H(43)	119.00 (3)
C(16)—C(15)—C(20)	119.759 (11)	C(44)—C(43)—H(43)	120.57 (3)
C(15)—C(16)—C(17)	120.120 (11)	C(43)—C(44)—C(45)	119.78 (3)
C(15)—C(16)—H(16)	120.715 (11)	C(43)—C(44)—H(44)	119.59 (3)
C(17)—C(16)—H(16)	119.149 (11)	C(45)—C(44)—H(44)	120.63 (3)
C(16)—C(17)—C(18)	120.034 (11)	C(44)—C(45)—C(46)	120.03 (3)
C(16)—C(17)—H(17)	119.595 (12)	C(44)—C(45)—H(45)	120.47 (3)
C(18)—C(17)—H(17)	120.371 (11)	C(46)—C(45)—H(45)	119.49 (3)
C(17)—C(18)—C(19)	119.976 (11)	C(41)—C(46)—C(45)	120.25 (3)
C(17)—C(18)—H(18)	119.791 (12)	C(41)—C(46)—H(46)	118.89 (3)
C(19)—C(18)—H(18)	120.225 (12)	C(45)—C(46)—H(46)	120.87 (3)
C(18)—C(19)—C(20)	120.168 (11)	P(2)—C(47)—C(48)	118.43 (2)
C(18)—C(19)—H(19)	120.147 (11)	P(2)—C(47)—C(52)	121.89 (2)
C(20)—C(19)—H(19)	119.686 (11)	C(48)—C(47)—C(52)	119.64 (3)
C(15)—C(20)—C(19)	119.928 (11)	C(47)—C(48)—C(49)	120.15 (3)
C(15)—C(20)—H(20)	119.545 (11)	C(47)—C(48)—H(48)	119.13 (3)
C(19)—C(20)—H(20)	120.526 (10)	C(49)—C(48)—H(48)	120.73 (3)
P(1)—C(21)—C(22)	119.123 (9)	C(48)—C(49)—C(50)	120.22 (3)
P(1)—C(21)—C(26)	121.180 (8)	C(48)—C(49)—H(49)	119.43 (4)
C(22)—C(21)—C(26)	119.683 (11)	C(50)—C(49)—H(49)	120.35 (4)
C(21)—C(22)—C(23)	120.048 (12)	C(49)—C(50)—C(51)	119.61 (3)
C(21)—C(22)—H(22)	118.829 (11)	C(49)—C(50)—H(50)	120.52 (4)
C(23)—C(22)—H(22)	121.079 (11)	C(51)—C(50)—H(50)	119.87 (4)
C(22)—C(23)—C(24)	120.057 (16)	C(50)—C(51)—C(52)	120.47 (3)
C(22)—C(23)—H(23)	119.799 (13)	C(50)—C(51)—H(51)	120.41 (3)
C(24)—C(23)—H(23)	120.137 (17)	C(52)—C(51)—H(51)	119.12 (3)
C(23)—C(24)—C(25)	120.13 (2)	C(47)—C(52)—C(51)	119.91 (3)
C(23)—C(24)—H(24)	120.09 (3)	C(47)—C(52)—H(52)	121.06 (3)
C(25)—C(24)—H(24)	119.77 (3)	C(51)—C(52)—H(52)	118.98 (3)

(SPAnH_SHADE)

Crystal data

C26H19PS	Z = 4
Mr = 394.44	F(000) = 824
Triclinic, P1	Dx = 1.327 Mg m^−3
a = 10.223 (2) Å	Cell parameters from 9960 reflections
b = 12.326 (2) Å	θ = 1.2–54.7°
c = 17.357 (3) Å	µ = 0.25 mm^−1
α = 101.55 (2)°	T = 100 K
β = 91.23 (2)°	Block, yellow
γ = 112.05 (2)°	0.22 × 0.19 × 0.11 mm
V = 1974.8 (7) Å^3

Data collection

Bruker Smart APEX II Ultra diffractometer	41917 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.023
Absorption correction: multi-scan SADABS-2016/2	θmax = 54.7°, θmin = 1.2°
Tmin = 0.946, Tmax = 0.973	h = −23→23
299913 measured reflections	k = −28→28
48281 independent reflections	l = −39→39

Refinement

Refinement on F^2	816 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.014	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.022	(Δ/σ)max < 0.001
S = 1.59	Δρmax = 0.20 e Å^−3
41640 reflections	Δρmin = −0.20 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.338712 (8)	0.550030 (7)	0.771170 (5)	0.015
S(2)	0.790622 (10)	0.537318 (8)	0.663486 (5)	0.021
P(1)	0.240529 (3)	0.387120 (3)	0.786503 (2)	0.01
P(2)	0.897288 (8)	0.702386 (7)	0.655782 (4)	0.012
C(1)	0.171022 (11)	0.374958 (10)	0.881910 (6)	0.011
C(2)	0.039149 (12)	0.387529 (10)	0.891256 (6)	0.011
C(3)	−0.021029 (13)	0.439060 (11)	0.840374 (7)	0.013
C(4)	−0.151130 (14)	0.444523 (12)	0.849781 (7)	0.016
C(5)	−0.23236 (3)	0.39752 (3)	0.909771 (19)	0.018
C(6)	−0.176474 (13)	0.353060 (13)	0.961972 (8)	0.016
C(7)	−0.038896 (12)	0.349044 (11)	0.955328 (7)	0.012
C(8)	0.021312 (12)	0.309868 (11)	1.011347 (7)	0.013
C(9)	0.159553 (12)	0.313817 (10)	1.009076 (6)	0.011
C(10)	0.224316 (13)	0.287355 (11)	1.072636 (7)	0.014
C(11)	0.361302 (14)	0.295543 (13)	1.073720 (8)	0.016
C(12)	0.44072 (3)	0.33228 (3)	1.010655 (18)	0.018
C(13)	0.381468 (13)	0.356707 (13)	0.948089 (7)	0.015
C(14)	0.237515 (12)	0.347353 (10)	0.943790 (6)	0.011
C(15)	0.347445 (12)	0.296701 (10)	0.767152 (6)	0.011
C(16)	0.295353 (13)	0.177715 (11)	0.775855 (8)	0.015
C(17)	0.375692 (14)	0.108226 (12)	0.757685 (8)	0.016
C(18)	0.507353 (14)	0.156329 (12)	0.729299 (8)	0.017
C(19)	0.558955 (13)	0.274183 (12)	0.720096 (8)	0.015
C(20)	0.479723 (12)	0.345039 (11)	0.739675 (7)	0.013
C(21)	0.084033 (12)	0.298657 (10)	0.715628 (6)	0.011
C(22)	0.067432 (14)	0.337634 (12)	0.647455 (7)	0.015
C(23)	−0.054624 (16)	0.274523 (14)	0.594366 (8)	0.019
C(24)	−0.15931 (3)	0.17207 (3)	0.609079 (18)	0.019
C(25)	−0.141669 (14)	0.130937 (12)	0.676265 (8)	0.017
C(26)	−0.020478 (13)	0.194207 (11)	0.729461 (7)	0.014
C(27)	0.925901 (12)	0.813232 (10)	0.748495 (6)	0.011
C(28)	1.048266 (12)	0.847137 (10)	0.802854 (6)	0.011
C(29)	1.140706 (13)	0.782967 (11)	0.798691 (7)	0.013
C(30)	1.255440 (14)	0.818604 (13)	0.853823 (8)	0.016
C(31)	1.288803 (14)	0.922163 (14)	0.916390 (8)	0.017
C(32)	1.201644 (14)	0.984181 (12)	0.924278 (7)	0.016
C(33)	1.077536 (13)	0.946288 (10)	0.869813 (7)	0.012
C(34)	0.981931 (13)	1.003071 (11)	0.883036 (7)	0.013
C(35)	0.852174 (13)	0.959296 (10)	0.836352 (7)	0.012
C(36)	0.748726 (15)	1.009482 (12)	0.857095 (8)	0.016
C(37)	0.616421 (15)	0.960094 (14)	0.816458 (9)	0.018
C(38)	0.581215 (14)	0.857886 (14)	0.752551 (8)	0.018
C(39)	0.679941 (13)	0.810920 (12)	0.728825 (7)	0.015
C(40)	0.820906 (12)	0.860897 (10)	0.768806 (6)	0.012
C(41)	0.815811 (13)	0.746837 (11)	0.579337 (7)	0.013
C(42)	0.869485 (15)	0.864420 (12)	0.568400 (7)	0.016
C(43)	0.81294 (4)	0.89185 (3)	0.504677 (18)	0.019
C(44)	0.70262 (4)	0.80308 (3)	0.451933 (18)	0.021
C(45)	0.64719 (4)	0.68634 (3)	0.463441 (18)	0.021
C(46)	0.70367 (3)	0.65824 (3)	0.526986 (17)	0.017
C(47)	1.07131 (3)	0.72515 (3)	0.621506 (15)	0.014
C(48)	1.10164 (4)	0.62438 (3)	0.591605 (18)	0.021
C(49)	1.23149 (5)	0.63800 (4)	0.56217 (2)	0.028
C(50)	1.33126 (4)	0.75178 (4)	0.56245 (2)	0.028
C(51)	1.30125 (4)	0.85258 (4)	0.592612 (19)	0.023
C(52)	1.17195 (3)	0.83981 (3)	0.621976 (17)	0.017
H(3)	0.039936	0.478711	0.795683	0.028
H(4)	−0.192053	0.486823	0.81173	0.031
H(5)	−0.33479	0.403753	0.915158	0.031
H(6)	−0.230338	0.322944	1.011446	0.03
H(8)	−0.040246	0.279796	1.058538	0.029
H(10)	0.163036	0.265321	1.121501	0.031
H(11)	0.412547	0.28007	1.123303	0.032
H(12)	0.551602	0.345018	1.014071	0.029
H(13)	0.446475	0.390823	0.903077	0.026
H(16)	0.193835	0.139227	0.798146	0.028
H(17)	0.335539	0.016923	0.765718	0.031
H(18)	0.569527	0.101969	0.715373	0.032
H(19)	0.660835	0.311428	0.697905	0.028
H(20)	0.520077	0.437211	0.733358	0.026
H(22)	0.148497	0.419149	0.637778	0.028
H(23)	−0.06819	0.306364	0.542141	0.032
H(24)	−0.255466	0.124497	0.568779	0.033
H(25)	−0.221626	0.04976	0.687125	0.03
H(26)	−0.01089	0.165	0.78339	0.028
H(29)	1.11716	0.701209	0.753956	0.028
H(30)	1.320213	0.765904	0.850261	0.03
H(31)	1.380884	0.949821	0.958794	0.031
H(32)	1.220667	1.061463	0.972161	0.031
H(34)	1.006567	1.080178	0.931834	0.03
H(36)	0.777712	1.085926	0.90676	0.031
H(37)	0.536055	0.995316	0.832861	0.031
H(38)	0.474378	0.815223	0.722725	0.028
H(39)	0.648635	0.729895	0.682543	0.027
H(42)	0.953876	0.936135	0.60893	0.029
H(43)	0.856041	0.983342	0.497036	0.032
H(44)	0.660276	0.825699	0.402467	0.035
H(45)	0.560806	0.616469	0.423092	0.033
H(46)	0.661444	0.567892	0.536746	0.029
H(48)	1.023338	0.536046	0.591719	0.03
H(49)	1.253188	0.558964	0.538504	0.033
H(50)	1.432157	0.762832	0.539634	0.032
H(51)	1.378381	0.941921	0.593819	0.03
H(52)	1.152748	0.919602	0.647095	0.028

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.016453 (12)	0.010795 (10)	0.018675 (12)	0.004082 (9)	0.003064 (9)	0.005350 (8)
S(2)	0.02909 (4)	0.01212 (3)	0.01728 (3)	0.00351 (3)	0.00259 (3)	0.00547 (3)
P(1)	0.010764 (10)	0.010259 (10)	0.009374 (9)	0.004295 (8)	0.002103 (7)	0.003417 (7)
P(2)	0.015569 (12)	0.010457 (10)	0.008941 (10)	0.004906 (9)	0.001728 (8)	0.002361 (7)
C(1)	0.01114 (3)	0.01384 (4)	0.00902 (3)	0.00592 (3)	0.00182 (3)	0.00344 (3)
C(2)	0.01149 (3)	0.01430 (4)	0.00966 (3)	0.00642 (3)	0.00184 (3)	0.00306 (3)
C(3)	0.01439 (4)	0.01696 (4)	0.01109 (3)	0.00892 (3)	0.00178 (3)	0.00384 (3)
C(4)	0.01482 (4)	0.02126 (5)	0.01388 (4)	0.01054 (4)	0.00118 (3)	0.00437 (3)
C(5)	0.01319 (4)	0.02743 (6)	0.01789 (4)	0.01097 (4)	0.00313 (3)	0.00761 (4)
C(6)	0.01234 (4)	0.02416 (5)	0.01603 (4)	0.00892 (4)	0.00425 (3)	0.00728 (4)
C(7)	0.01120 (3)	0.01621 (4)	0.01103 (3)	0.00621 (3)	0.00248 (3)	0.00403 (3)
C(8)	0.01209 (4)	0.01670 (4)	0.01142 (3)	0.00593 (3)	0.00318 (3)	0.00532 (3)
C(9)	0.01169 (3)	0.01319 (3)	0.00972 (3)	0.00489 (3)	0.00171 (3)	0.00393 (3)
C(10)	0.01444 (4)	0.01697 (4)	0.01162 (3)	0.00598 (3)	0.00164 (3)	0.00644 (3)
C(11)	0.01475 (4)	0.02229 (5)	0.01404 (4)	0.00741 (4)	0.00038 (3)	0.00826 (4)
C(12)	0.01285 (4)	0.02952 (6)	0.01548 (4)	0.00927 (4)	0.00135 (3)	0.01000 (4)
C(13)	0.01112 (4)	0.02353 (5)	0.01251 (4)	0.00727 (4)	0.00183 (3)	0.00720 (3)
C(14)	0.01056 (3)	0.01340 (3)	0.00942 (3)	0.00493 (3)	0.00129 (3)	0.00358 (3)
C(15)	0.01150 (3)	0.01167 (3)	0.01221 (3)	0.00497 (3)	0.00314 (3)	0.00428 (3)
C(16)	0.01414 (4)	0.01304 (4)	0.01998 (4)	0.00624 (3)	0.00559 (3)	0.00746 (3)
C(17)	0.01644 (4)	0.01395 (4)	0.02233 (5)	0.00794 (4)	0.00456 (4)	0.00704 (4)
C(18)	0.01540 (4)	0.01647 (4)	0.02093 (5)	0.00906 (4)	0.00384 (4)	0.00526 (4)
C(19)	0.01238 (4)	0.01613 (4)	0.01831 (4)	0.00651 (3)	0.00417 (3)	0.00442 (3)
C(20)	0.01159 (3)	0.01285 (4)	0.01424 (4)	0.00451 (3)	0.00346 (3)	0.00396 (3)
C(21)	0.01278 (3)	0.01218 (3)	0.00934 (3)	0.00494 (3)	0.00141 (3)	0.00346 (3)
C(22)	0.01745 (4)	0.01710 (4)	0.01082 (3)	0.00637 (4)	0.00105 (3)	0.00579 (3)
C(23)	0.02185 (5)	0.02249 (5)	0.01248 (4)	0.00762 (5)	−0.00262 (4)	0.00529 (4)
C(24)	0.01867 (5)	0.02055 (5)	0.01537 (4)	0.00586 (4)	−0.00412 (4)	0.00171 (4)
C(25)	0.01553 (4)	0.01538 (4)	0.01638 (4)	0.00298 (4)	−0.00142 (3)	0.00254 (3)
C(26)	0.01468 (4)	0.01316 (4)	0.01281 (4)	0.00310 (3)	0.00005 (3)	0.00441 (3)
C(27)	0.01287 (4)	0.01223 (3)	0.00912 (3)	0.00540 (3)	0.00172 (3)	0.00222 (3)
C(28)	0.01233 (3)	0.01219 (3)	0.00951 (3)	0.00504 (3)	0.00189 (3)	0.00234 (3)
C(29)	0.01504 (4)	0.01586 (4)	0.01129 (3)	0.00811 (3)	0.00212 (3)	0.00308 (3)
C(30)	0.01453 (4)	0.02070 (5)	0.01422 (4)	0.00893 (4)	0.00187 (3)	0.00430 (3)
C(31)	0.01326 (4)	0.02183 (5)	0.01539 (4)	0.00607 (4)	−0.00058 (3)	0.00219 (4)
C(32)	0.01377 (4)	0.01662 (4)	0.01366 (4)	0.00393 (4)	−0.00042 (3)	0.00024 (3)
C(33)	0.01250 (4)	0.01202 (3)	0.01101 (3)	0.00401 (3)	0.00155 (3)	0.00141 (3)
C(34)	0.01488 (4)	0.01188 (3)	0.01280 (4)	0.00517 (3)	0.00217 (3)	0.00087 (3)
C(35)	0.01445 (4)	0.01233 (3)	0.01198 (3)	0.00647 (3)	0.00318 (3)	0.00313 (3)
C(36)	0.01836 (5)	0.01655 (4)	0.01672 (4)	0.01041 (4)	0.00524 (4)	0.00454 (3)
C(37)	0.01786 (5)	0.02296 (5)	0.01906 (5)	0.01279 (4)	0.00557 (4)	0.00790 (4)
C(38)	0.01466 (4)	0.02476 (5)	0.01642 (4)	0.00982 (4)	0.00284 (3)	0.00708 (4)
C(39)	0.01332 (4)	0.01941 (4)	0.01253 (4)	0.00667 (4)	0.00143 (3)	0.00387 (3)
C(40)	0.01281 (4)	0.01304 (3)	0.01031 (3)	0.00576 (3)	0.00222 (3)	0.00332 (3)
C(41)	0.01579 (4)	0.01342 (4)	0.00983 (3)	0.00539 (3)	0.00055 (3)	0.00224 (3)
C(42)	0.01941 (5)	0.01473 (4)	0.01372 (4)	0.00605 (4)	−0.00058 (3)	0.00459 (3)
C(43)	0.02512 (6)	0.02014 (5)	0.01530 (4)	0.01097 (5)	0.00022 (4)	0.00666 (4)
C(44)	0.02625 (6)	0.02623 (6)	0.01343 (4)	0.01421 (5)	−0.00191 (4)	0.00397 (4)
C(45)	0.02271 (6)	0.02371 (6)	0.01439 (4)	0.00913 (5)	−0.00450 (4)	0.00046 (4)
C(46)	0.01878 (5)	0.01645 (4)	0.01300 (4)	0.00521 (4)	−0.00178 (3)	0.00074 (3)
C(47)	0.01864 (4)	0.01637 (4)	0.01046 (3)	0.00995 (4)	0.00323 (3)	0.00295 (3)
C(48)	0.02989 (7)	0.02244 (5)	0.01614 (4)	0.01807 (5)	0.00500 (4)	0.00305 (4)
C(49)	0.03456 (8)	0.03837 (9)	0.02220 (6)	0.02762 (8)	0.00821 (6)	0.00403 (6)
C(50)	0.02397 (6)	0.04712 (10)	0.02018 (5)	0.02205 (7)	0.00758 (5)	0.00615 (6)
C(51)	0.01683 (5)	0.03432 (8)	0.01865 (5)	0.01011 (5)	0.00530 (4)	0.00636 (5)
C(52)	0.01612 (4)	0.02003 (5)	0.01589 (4)	0.00760 (4)	0.00430 (3)	0.00428 (4)
H(3)	0.026651	0.033863	0.028247	0.013187	0.008974	0.016243
H(4)	0.028773	0.03763	0.035318	0.018509	0.004061	0.018793
H(5)	0.021782	0.041079	0.038879	0.017668	0.007964	0.015181
H(6)	0.027105	0.040118	0.027065	0.014368	0.010367	0.015163
H(8)	0.025622	0.040758	0.024699	0.012545	0.0094	0.015463
H(10)	0.025848	0.045239	0.024372	0.01279	0.009016	0.017317
H(11)	0.026384	0.047649	0.02689	0.014503	0.001098	0.020321
H(12)	0.018888	0.041699	0.032319	0.013212	0.004476	0.016606
H(13)	0.02501	0.034571	0.02454	0.012326	0.00903	0.014995
H(16)	0.023474	0.02622	0.035854	0.009204	0.011051	0.011794
H(17)	0.033126	0.018962	0.044721	0.010739	0.011783	0.013071
H(18)	0.032205	0.024765	0.046011	0.017964	0.014072	0.010112
H(19)	0.024978	0.02592	0.037087	0.010362	0.013363	0.010588
H(20)	0.029294	0.017848	0.033272	0.00934	0.007723	0.009497
H(22)	0.026119	0.025317	0.029	0.002123	0.000611	0.011849
H(23)	0.032309	0.037325	0.024048	0.006354	−0.002788	0.01541
H(24)	0.025636	0.036154	0.027048	0.000877	−0.006968	0.008651
H(25)	0.027073	0.026214	0.030532	0.00056	0.001065	0.011307
H(26)	0.030641	0.0295	0.0222	0.008429	0.000204	0.011959
H(29)	0.031167	0.024772	0.026114	0.01311	0.000827	−0.000661
H(30)	0.027811	0.034372	0.033528	0.018362	0.002659	0.008042
H(31)	0.024209	0.039309	0.026642	0.010102	−0.004766	0.004897
H(32)	0.03181	0.029539	0.023792	0.009884	−0.000368	−0.003743
H(34)	0.031713	0.025098	0.026321	0.009938	0.000868	−0.005473
H(36)	0.032368	0.023546	0.031081	0.010902	0.00228	−0.005018
H(37)	0.027702	0.028725	0.039568	0.017244	0.006141	0.0034
H(38)	0.021729	0.028756	0.032753	0.009573	−0.002293	0.00372
H(39)	0.029256	0.022506	0.02499	0.010281	−0.000856	−0.002097
H(42)	0.029235	0.02362	0.026518	0.003823	−0.00443	0.004837
H(43)	0.035102	0.025344	0.03441	0.005108	−0.000133	0.015417
H(44)	0.036096	0.039174	0.027314	0.007936	−0.004687	0.017487
H(45)	0.031392	0.031388	0.024995	0.001181	−0.005981	0.005991
H(46)	0.033749	0.021386	0.027644	0.004989	0.000987	0.0087
H(48)	0.028703	0.020893	0.03691	0.006246	0.010893	0.006418
H(49)	0.03511	0.025694	0.040174	0.014965	0.014753	0.003904
H(50)	0.026373	0.033785	0.037544	0.011355	0.01545	0.008296
H(51)	0.027645	0.023233	0.034789	0.004445	0.008686	0.007935
H(52)	0.030919	0.021993	0.031855	0.011805	0.007926	0.004039

Geometric parameters (Å, º)

S(1)—P(1)	1.9552	C(24)—H(24)	1.0830
S(2)—P(2)	1.9483	C(25)—C(26)	1.3902
P(1)—C(1)	1.8275	C(25)—H(25)	1.0830
P(1)—C(15)	1.8249	C(26)—H(26)	1.0830
P(1)—C(21)	1.8249	C(27)—C(28)	1.4243
P(2)—C(27)	1.8279	C(27)—C(40)	1.4242
P(2)—C(41)	1.8278	C(28)—C(29)	1.4371
P(2)—C(47)	1.8262	C(28)—C(33)	1.4407
C(1)—C(2)	1.4227	C(29)—C(30)	1.3715
C(1)—C(14)	1.4213	C(29)—H(29)	1.0830
C(2)—C(3)	1.4341	C(30)—C(31)	1.4238
C(2)—C(7)	1.4365	C(30)—H(30)	1.0830
C(3)—C(4)	1.3683	C(31)—C(32)	1.3681
C(3)—H(3)	1.0830	C(31)—H(31)	1.0830
C(4)—C(5)	1.4237	C(32)—C(33)	1.4312
C(4)—H(4)	1.0830	C(32)—H(32)	1.0830
C(5)—C(6)	1.3636	C(33)—C(34)	1.3988
C(5)—H(5)	1.0830	C(34)—C(35)	1.3960
C(6)—C(7)	1.4321	C(34)—H(34)	1.0830
C(6)—H(6)	1.0830	C(35)—C(36)	1.4314
C(7)—C(8)	1.3939	C(35)—C(40)	1.4391
C(8)—C(9)	1.3974	C(36)—C(37)	1.3662
C(8)—H(8)	1.0830	C(36)—H(36)	1.0830
C(9)—C(10)	1.4271	C(37)—C(38)	1.4247
C(9)—C(14)	1.4385	C(37)—H(37)	1.0830
C(10)—C(11)	1.3652	C(38)—C(39)	1.3727
C(10)—H(10)	1.0830	C(38)—H(38)	1.0830
C(11)—C(12)	1.4223	C(39)—C(40)	1.4343
C(11)—H(11)	1.0830	C(39)—H(39)	1.0830
C(12)—C(13)	1.3698	C(41)—C(42)	1.3983
C(12)—H(12)	1.0830	C(41)—C(46)	1.3966
C(13)—C(14)	1.4314	C(42)—C(43)	1.3931
C(13)—H(13)	1.0830	C(42)—H(42)	1.0830
C(15)—C(16)	1.4011	C(43)—C(44)	1.3911
C(15)—C(20)	1.3956	C(43)—H(43)	1.0830
C(16)—C(17)	1.3924	C(44)—C(45)	1.3926
C(16)—H(16)	1.0830	C(44)—H(44)	1.0830
C(17)—C(18)	1.3972	C(45)—C(46)	1.3949
C(17)—H(17)	1.0830	C(45)—H(45)	1.0830
C(18)—C(19)	1.3911	C(46)—H(46)	1.0830
C(18)—H(18)	1.0830	C(47)—C(48)	1.3951
C(19)—C(20)	1.3995	C(47)—C(52)	1.3997
C(19)—H(19)	1.0830	C(48)—C(49)	1.3955
C(20)—H(20)	1.0830	C(48)—H(48)	1.0830
C(21)—C(22)	1.3928	C(49)—C(50)	1.3894
C(21)—C(26)	1.3995	C(49)—H(49)	1.0830
C(22)—C(23)	1.3950	C(50)—C(51)	1.3945
C(22)—H(22)	1.0830	C(50)—H(50)	1.0830
C(23)—C(24)	1.3897	C(51)—C(52)	1.3916
C(23)—H(23)	1.0830	C(51)—H(51)	1.0830
C(24)—C(25)	1.3950	C(52)—H(52)	1.0830
S(1)—P(1)—C(1)	116.1793	C(24)—C(25)—C(26)	119.8345
S(1)—P(1)—C(15)	112.5173	C(24)—C(25)—H(25)	120.3962
S(1)—P(1)—C(21)	113.0531	C(26)—C(25)—H(25)	119.7688
C(1)—P(1)—C(15)	109.0070	C(21)—C(26)—C(25)	120.2136
C(1)—P(1)—C(21)	103.0856	C(21)—C(26)—H(26)	120.3586
C(15)—P(1)—C(21)	101.6537	C(25)—C(26)—H(26)	119.3188
S(2)—P(2)—C(27)	113.9398	P(2)—C(27)—C(28)	120.6134
S(2)—P(2)—C(41)	112.7951	P(2)—C(27)—C(40)	119.7355
S(2)—P(2)—C(47)	112.9191	C(28)—C(27)—C(40)	119.5457
C(27)—P(2)—C(41)	108.1300	C(27)—C(28)—C(29)	124.0110
C(27)—P(2)—C(47)	107.1132	C(27)—C(28)—C(33)	119.0166
C(41)—P(2)—C(47)	101.0013	C(29)—C(28)—C(33)	116.8151
P(1)—C(1)—C(2)	116.8120	C(28)—C(29)—C(30)	121.3223
P(1)—C(1)—C(14)	123.4413	C(28)—C(29)—H(29)	120.4868
C(2)—C(1)—C(14)	119.6469	C(30)—C(29)—H(29)	118.0602
C(1)—C(2)—C(3)	123.4687	C(29)—C(30)—C(31)	121.0502
C(1)—C(2)—C(7)	119.4475	C(29)—C(30)—H(30)	119.2985
C(3)—C(2)—C(7)	117.0761	C(31)—C(30)—H(30)	119.6389
C(2)—C(3)—C(4)	121.2364	C(30)—C(31)—C(32)	119.8054
C(2)—C(3)—H(3)	119.4239	C(30)—C(31)—H(31)	120.0095
C(4)—C(3)—H(3)	119.2573	C(32)—C(31)—H(31)	120.1496
C(3)—C(4)—C(5)	121.0467	C(31)—C(32)—C(33)	120.5423
C(3)—C(4)—H(4)	119.4715	C(31)—C(32)—H(32)	122.3817
C(5)—C(4)—H(4)	119.4710	C(33)—C(32)—H(32)	117.0508
C(4)—C(5)—C(6)	119.7276	C(28)—C(33)—C(32)	120.1888
C(4)—C(5)—H(5)	118.6159	C(28)—C(33)—C(34)	119.8592
C(6)—C(5)—H(5)	121.5202	C(32)—C(33)—C(34)	119.9183
C(5)—C(6)—C(7)	120.6860	C(33)—C(34)—C(35)	121.1919
C(5)—C(6)—H(6)	122.5683	C(33)—C(34)—H(34)	119.6815
C(7)—C(6)—H(6)	116.6933	C(35)—C(34)—H(34)	119.0760
C(2)—C(7)—C(6)	119.9412	C(34)—C(35)—C(36)	120.1047
C(2)—C(7)—C(8)	119.5038	C(34)—C(35)—C(40)	119.7637
C(6)—C(7)—C(8)	120.5466	C(36)—C(35)—C(40)	120.0997
C(7)—C(8)—C(9)	121.2585	C(35)—C(36)—C(37)	120.6853
C(7)—C(8)—H(8)	118.1978	C(35)—C(36)—H(36)	117.9967
C(9)—C(8)—H(8)	120.4880	C(37)—C(36)—H(36)	121.2978
C(8)—C(9)—C(10)	119.7980	C(36)—C(37)—C(38)	119.6665
C(8)—C(9)—C(14)	120.0525	C(36)—C(37)—H(37)	121.3909
C(10)—C(9)—C(14)	120.1317	C(38)—C(37)—H(37)	118.9164
C(9)—C(10)—C(11)	121.1195	C(37)—C(38)—C(39)	121.1049
C(9)—C(10)—H(10)	117.7008	C(37)—C(38)—H(38)	119.7144
C(11)—C(10)—H(10)	121.0964	C(39)—C(38)—H(38)	119.1708
C(10)—C(11)—C(12)	119.1642	C(38)—C(39)—C(40)	121.2288
C(10)—C(11)—H(11)	121.3074	C(38)—C(39)—H(39)	119.5825
C(12)—C(11)—H(11)	119.4157	C(40)—C(39)—H(39)	118.9598
C(11)—C(12)—C(13)	121.3493	C(27)—C(40)—C(35)	119.2690
C(11)—C(12)—H(12)	118.7361	C(27)—C(40)—C(39)	123.5829
C(13)—C(12)—H(12)	119.8499	C(35)—C(40)—C(39)	117.0013
C(12)—C(13)—C(14)	121.4124	P(2)—C(41)—C(42)	121.8153
C(12)—C(13)—H(13)	119.7819	P(2)—C(41)—C(46)	118.4785
C(14)—C(13)—H(13)	118.6158	C(42)—C(41)—C(46)	119.5260
C(1)—C(14)—C(9)	118.8846	C(41)—C(42)—C(43)	119.9360
C(1)—C(14)—C(13)	124.2524	C(41)—C(42)—H(42)	121.6300
C(9)—C(14)—C(13)	116.7769	C(43)—C(42)—H(42)	118.4287
P(1)—C(15)—C(16)	120.7798	C(42)—C(43)—C(44)	120.4368
P(1)—C(15)—C(20)	119.3974	C(42)—C(43)—H(43)	118.9187
C(16)—C(15)—C(20)	119.7487	C(44)—C(43)—H(43)	120.6443
C(15)—C(16)—C(17)	120.1260	C(43)—C(44)—C(45)	119.7886
C(15)—C(16)—H(16)	120.7737	C(43)—C(44)—H(44)	119.5528
C(17)—C(16)—H(16)	119.0810	C(45)—C(44)—H(44)	120.6576
C(16)—C(17)—C(18)	120.0335	C(44)—C(45)—C(46)	120.0347
C(16)—C(17)—H(17)	119.6257	C(44)—C(45)—H(45)	120.5891
C(18)—C(17)—H(17)	120.3408	C(46)—C(45)—H(45)	119.3740
C(17)—C(18)—C(19)	119.9734	C(41)—C(46)—C(45)	120.2607
C(17)—C(18)—H(18)	119.7435	C(41)—C(46)—H(46)	118.9013
C(19)—C(18)—H(18)	120.2768	C(45)—C(46)—H(46)	120.8377
C(18)—C(19)—C(20)	120.1692	P(2)—C(47)—C(48)	118.4510
C(18)—C(19)—H(19)	120.0125	P(2)—C(47)—C(52)	121.8958
C(20)—C(19)—H(19)	119.8180	C(48)—C(47)—C(52)	119.6156
C(15)—C(20)—C(19)	119.9330	C(47)—C(48)—C(49)	120.0999
C(15)—C(20)—H(20)	119.6200	C(47)—C(48)—H(48)	119.1105
C(19)—C(20)—H(20)	120.4462	C(49)—C(48)—H(48)	120.7895
P(1)—C(21)—C(22)	119.1276	C(48)—C(49)—C(50)	120.2939
P(1)—C(21)—C(26)	121.1850	C(48)—C(49)—H(49)	119.3439
C(22)—C(21)—C(26)	119.6733	C(50)—C(49)—H(49)	120.3585
C(21)—C(22)—C(23)	120.0566	C(49)—C(50)—C(51)	119.6437
C(21)—C(22)—H(22)	118.9433	C(49)—C(50)—H(50)	120.5826
C(23)—C(22)—H(22)	120.9559	C(51)—C(50)—H(50)	119.7734
C(22)—C(23)—C(24)	120.0495	C(50)—C(51)—C(52)	120.4382
C(22)—C(23)—H(23)	119.7894	C(50)—C(51)—H(51)	120.5210
C(24)—C(23)—H(23)	120.1550	C(52)—C(51)—H(51)	119.0401
C(23)—C(24)—C(25)	120.1418	C(47)—C(52)—C(51)	119.9078
C(23)—C(24)—H(24)	120.0978	C(47)—C(52)—H(52)	121.0199
C(25)—C(24)—H(24)	119.7562	C(51)—C(52)—H(52)	119.0258

(SPAnPS_Aniso_noQ0)

Crystal data

C38H28P2S2·2(C7H8)	F(000) = 836
Mr = 794.93	Dx = 1.272 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7687 Å	Cell parameters from 9597 reflections
b = 14.7934 Å	θ = 2.2–30.4°
c = 13.4133 Å	µ = 0.24 mm^−1
β = 103.813°	T = 100 K
V = 2075.02 Å^3	Block, yellow
Z = 2	0.25 × 0.2 × 0.2 mm

Data collection

Bruker Smart APEX II Ultra diffractometer	17007 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.032
Absorption correction: multi-scan SADABS-2016/2	θmax = 52.9°, θmin = 2.1°
Tmin = 0.708, Tmax = 0.750	h = −24→24
194731 measured reflections	k = −27→33
24426 independent reflections	l = −29→29

Refinement

Refinement on F^2	812 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.025	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.017	(Δ/σ)max = 0.046
S = 1.22	Δρmax = 0.18 e Å^−3
22130 reflections	Δρmin = −0.19 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.672676 (13)	0.479363 (9)	0.729747 (9)	0.028
P(1)	0.535276 (9)	0.424666 (6)	0.781062 (7)	0.015
C(1)	0.577687 (14)	0.422228 (11)	0.998268 (13)	0.015
C(2)	0.523282 (13)	0.468624 (10)	0.905819 (13)	0.014
C(3)	0.453328 (15)	0.549311 (11)	0.907969 (14)	0.015
C(4)	0.415951 (18)	0.607083 (12)	0.820062 (15)	0.018
C(5)	0.33985 (5)	0.68073 (4)	0.82087 (6)	0.021
C(6)	0.28991 (5)	0.69893 (4)	0.90777 (6)	0.021
C(7)	0.332058 (17)	0.650065 (12)	0.995707 (16)	0.018
C(8)	0.377279 (17)	0.436452 (10)	0.694945 (11)	0.016
C(9)	0.37004 (4)	0.44563 (2)	0.59023 (3)	0.024
C(10)	0.25127 (5)	0.44271 (3)	0.52016 (3)	0.031
C(11)	0.14086 (5)	0.43024 (2)	0.55450 (3)	0.029
C(12)	0.14773 (4)	0.42147 (2)	0.65894 (3)	0.024
C(13)	0.265587 (16)	0.424703 (11)	0.729361 (13)	0.018
C(14)	0.541334 (15)	0.301817 (11)	0.785472 (11)	0.016
C(15)	0.62303 (2)	0.258132 (14)	0.735126 (15)	0.026
C(16)	0.61965 (5)	0.16428 (3)	0.72628 (3)	0.035
C(17)	0.53496 (4)	0.11451 (3)	0.76744 (3)	0.03
C(18)	0.45322 (4)	0.15808 (3)	0.81786 (3)	0.024
C(19)	0.456009 (16)	0.251551 (11)	0.827112 (13)	0.018
C(20)	0.83377 (11)	0.28711 (7)	0.55692 (7)	0.043
C(21)	0.71588 (12)	0.24165 (8)	0.49724 (7)	0.029
C(22)	0.70974 (10)	0.14787 (8)	0.48918 (5)	0.035
C(23)	0.59842 (8)	0.10511 (7)	0.43672 (5)	0.044
C(24)	0.49172 (9)	0.15533 (6)	0.39084 (5)	0.052
C(25)	0.49723 (8)	0.24848 (9)	0.39809 (5)	0.052
C(26)	0.60790 (11)	0.29191 (8)	0.45063 (6)	0.039
H(4)	0.453757	0.593118	0.753796	0.032
H(5)	0.317441	0.724526	0.754344	0.037
H(6)	0.219285	0.751641	0.904146	0.037
H(7)	0.295064	0.663601	1.062476	0.034
H(9)	0.457168	0.454182	0.564431	0.045
H(10)	0.246941	0.449658	0.43908	0.054
H(11)	0.048988	0.425382	0.500134	0.051
H(12)	0.06174	0.411003	0.685847	0.04
H(13)	0.269365	0.417236	0.810295	0.038
H(15)	0.687069	0.298724	0.702532	0.051
H(16)	0.682184	0.129809	0.686423	0.066
H(17)	0.532107	0.041727	0.759007	0.052
H(18)	0.386062	0.119433	0.849163	0.042
H(19)	0.390857	0.284769	0.865494	0.037
H(20A)	0.815944	0.359445	0.56005	0.111
H(20B)	0.915369	0.27362	0.524269	0.081
H(20C)	0.860056	0.259713	0.634527	0.099
H(22)	0.792194	0.108145	0.526398	0.055
H(23)	0.595549	0.03198	0.436428	0.055
H(24)	0.404735	0.1213	0.35175	0.117
H(25)	0.413103	0.287762	0.363746	0.111
H(26)	0.612184	0.364858	0.45658	0.061

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.02487 (7)	0.02903 (7)	0.03395 (8)	−0.00783 (5)	0.01446 (5)	0.00051 (5)
P(1)	0.01544 (6)	0.01508 (6)	0.01518 (6)	−0.00152 (3)	0.00433 (3)	−0.00091 (3)
C(1)	0.01533 (6)	0.01229 (6)	0.01459 (7)	0.00143 (5)	−0.00042 (4)	−0.00159 (5)
C(2)	0.01543 (6)	0.01244 (6)	0.01406 (6)	0.00081 (5)	0.00086 (4)	−0.00134 (4)
C(3)	0.01649 (7)	0.01179 (6)	0.01410 (7)	0.00095 (5)	0.00022 (4)	−0.00100 (5)
C(4)	0.02254 (8)	0.01309 (7)	0.01587 (7)	0.00116 (6)	0.00027 (5)	0.00040 (5)
C(5)	0.02514 (8)	0.01416 (7)	0.01904 (8)	0.00343 (6)	−0.00181 (6)	0.00097 (6)
C(6)	0.02233 (8)	0.01651 (7)	0.02073 (9)	0.00619 (6)	−0.00254 (6)	−0.00121 (6)
C(7)	0.01798 (7)	0.01643 (7)	0.01832 (8)	0.00472 (6)	−0.00081 (5)	−0.00247 (6)
C(8)	0.01958 (7)	0.01454 (7)	0.01283 (6)	−0.00073 (4)	0.00217 (5)	0.00016 (4)
C(9)	0.03296 (10)	0.02395 (8)	0.01355 (7)	−0.00268 (6)	0.00406 (6)	0.00216 (5)
C(10)	0.04198 (12)	0.02939 (10)	0.01516 (7)	−0.00107 (7)	−0.00410 (7)	0.00269 (6)
C(11)	0.03090 (9)	0.02404 (8)	0.02399 (8)	0.00252 (6)	−0.00977 (7)	−0.00226 (6)
C(12)	0.01900 (7)	0.02130 (7)	0.02690 (8)	0.00135 (5)	−0.00291 (5)	−0.00456 (6)
C(13)	0.01694 (7)	0.01866 (7)	0.01726 (7)	−0.00015 (5)	0.00145 (5)	−0.00189 (5)
C(14)	0.01790 (7)	0.01506 (7)	0.01543 (6)	0.00191 (4)	0.00441 (5)	−0.00175 (4)
C(15)	0.03604 (10)	0.02210 (8)	0.02593 (8)	0.01042 (7)	0.01702 (7)	0.00172 (6)
C(16)	0.05847 (15)	0.02225 (9)	0.02979 (10)	0.01756 (9)	0.02056 (10)	0.00124 (7)
C(17)	0.04949 (13)	0.01517 (7)	0.02407 (8)	0.00789 (7)	0.00347 (8)	−0.00150 (5)
C(18)	0.02724 (8)	0.01403 (7)	0.02542 (8)	−0.00041 (5)	−0.00142 (6)	0.00112 (5)
C(19)	0.01866 (7)	0.01425 (6)	0.02196 (7)	−0.00046 (5)	0.00401 (5)	−0.00046 (5)
C(20)	0.03181 (14)	0.05899 (19)	0.03978 (14)	−0.00737 (13)	0.01323 (12)	−0.01390 (13)
C(21)	0.02682 (11)	0.03904 (15)	0.02445 (10)	0.00131 (12)	0.01023 (9)	−0.00120 (9)
C(22)	0.03329 (13)	0.03920 (15)	0.03402 (11)	0.00462 (11)	0.01221 (9)	−0.00339 (10)
C(23)	0.04465 (17)	0.04835 (17)	0.04521 (15)	−0.00947 (13)	0.02014 (13)	−0.01203 (12)
C(24)	0.03312 (13)	0.0792 (3)	0.04293 (15)	−0.01385 (16)	0.00874 (11)	−0.01329 (16)
C(25)	0.03192 (13)	0.0758 (3)	0.04343 (15)	0.00724 (15)	0.00005 (11)	0.00596 (15)
C(26)	0.03639 (14)	0.04468 (16)	0.03704 (13)	0.00651 (13)	0.00810 (11)	0.00824 (11)
H(4)	0.042 (2)	0.028 (2)	0.030 (2)	−0.0037 (19)	0.0150 (18)	0.0012 (17)
H(5)	0.053 (3)	0.024 (2)	0.030 (2)	0.012 (2)	0.0018 (19)	0.0073 (18)
H(6)	0.036 (2)	0.030 (2)	0.043 (3)	0.018 (2)	0.0013 (17)	−0.0016 (18)
H(7)	0.030 (2)	0.049 (3)	0.025 (2)	0.015 (2)	0.0097 (16)	0.0018 (18)
H(9)	0.052 (3)	0.057 (3)	0.032 (2)	−0.0026 (19)	0.0190 (19)	0.0046 (17)
H(10)	0.068 (3)	0.074 (3)	0.016 (2)	−0.007 (2)	−0.0007 (18)	0.0080 (19)
H(11)	0.040 (2)	0.055 (3)	0.044 (2)	0.0070 (19)	−0.0206 (19)	−0.0020 (19)
H(12)	0.020 (2)	0.047 (2)	0.052 (2)	0.0034 (16)	0.0065 (17)	−0.0060 (17)
H(13)	0.030 (2)	0.057 (3)	0.028 (2)	−0.0106 (16)	0.0114 (16)	−0.0042 (17)
H(15)	0.066 (3)	0.038 (2)	0.063 (3)	0.009 (2)	0.040 (2)	0.0070 (19)
H(16)	0.114 (4)	0.040 (2)	0.063 (3)	0.028 (2)	0.060 (3)	−0.0013 (19)
H(17)	0.080 (3)	0.023 (2)	0.051 (2)	0.009 (2)	0.015 (2)	−0.0022 (18)
H(18)	0.036 (2)	0.028 (2)	0.059 (3)	−0.0076 (16)	0.0072 (19)	0.0066 (17)
H(19)	0.040 (2)	0.026 (2)	0.052 (2)	−0.0024 (16)	0.0265 (19)	−0.0052 (16)
H(20A)	0.071 (5)	0.074 (7)	0.174 (8)	0.008 (3)	0.000 (5)	−0.010 (4)
H(20B)	0.087 (6)	0.102 (6)	0.059 (4)	−0.029 (4)	0.029 (4)	−0.024 (4)
H(20C)	0.052 (4)	0.145 (6)	0.101 (8)	−0.024 (4)	0.019 (4)	−0.054 (5)
H(22)	0.046 (3)	0.053 (3)	0.063 (3)	0.017 (3)	0.010 (2)	−0.005 (2)
H(23)	0.063 (3)	0.024 (3)	0.082 (3)	−0.016 (2)	0.025 (3)	−0.021 (2)
H(24)	0.074 (4)	0.179 (7)	0.095 (5)	−0.048 (4)	0.013 (3)	−0.051 (4)
H(25)	0.067 (4)	0.145 (6)	0.103 (5)	0.013 (4)	−0.014 (3)	0.005 (4)
H(26)	0.072 (4)	0.043 (3)	0.070 (3)	0.010 (2)	0.023 (3)	0.014 (2)

Geometric parameters (Å, º)

S(1)—P(1)	1.9504 (2)	C(14)—C(15)	1.3897 (2)
P(1)—C(2)	1.8284 (2)	C(14)—C(19)	1.3979 (2)
P(1)—C(8)	1.8224 (2)	C(15)—C(16)	1.3932 (5)
P(1)—C(14)	1.8190 (2)	C(15)—H(15)	1.0822 (2)
C(1)—C(2)	1.4160 (2)	C(16)—C(17)	1.3853 (7)
C(1)—C(3)^i	1.4391 (2)	C(16)—H(16)	1.0822 (5)
C(1)—C(7)^i	1.4344 (2)	C(17)—C(18)	1.3899 (6)
C(2)—C(3)	1.4154 (2)	C(17)—H(17)	1.0822 (5)
C(3)—C(4)	1.4339 (2)	C(18)—C(19)	1.3880 (4)
C(4)—C(5)	1.3649 (7)	C(18)—H(18)	1.0823 (5)
C(4)—H(4)	1.0823 (2)	C(19)—H(19)	1.0823 (2)
C(5)—C(6)	1.4212 (11)	C(20)—C(21)	1.4898 (18)
C(5)—H(5)	1.0822 (7)	C(20)—H(20A)	1.0897 (9)
C(6)—C(7)	1.3654 (8)	C(20)—H(20B)	1.0897 (7)
C(6)—H(6)	1.0823 (7)	C(20)—H(20C)	1.0897 (8)
C(7)—H(7)	1.0822 (2)	C(21)—C(22)	1.3919 (16)
C(8)—C(9)	1.3946 (4)	C(21)—C(26)	1.3960 (15)
C(8)—C(13)	1.3983 (2)	C(22)—C(23)	1.3890 (15)
C(9)—C(10)	1.3953 (6)	C(22)—H(22)	1.0823 (11)
C(9)—H(9)	1.0823 (4)	C(23)—C(24)	1.3832 (14)
C(10)—C(11)	1.3861 (7)	C(23)—H(23)	1.0822 (10)
C(10)—H(10)	1.0822 (5)	C(24)—C(25)	1.3818 (15)
C(11)—C(12)	1.3912 (6)	C(24)—H(24)	1.0823 (11)
C(11)—H(11)	1.0822 (5)	C(25)—C(26)	1.3888 (16)
C(12)—C(13)	1.3903 (4)	C(25)—H(25)	1.0822 (10)
C(12)—H(12)	1.0823 (5)	C(26)—H(26)	1.0822 (12)
C(13)—H(13)	1.0823 (2)
S(1)—P(1)—C(2)	113.625 (7)	C(12)—C(13)—H(13)	119.18 (2)
S(1)—P(1)—C(8)	114.126 (8)	P(1)—C(14)—C(15)	118.083 (14)
S(1)—P(1)—C(14)	113.680 (8)	P(1)—C(14)—C(19)	121.504 (12)
C(2)—P(1)—C(8)	106.667 (8)	C(15)—C(14)—C(19)	119.969 (17)
C(2)—P(1)—C(14)	109.597 (8)	C(14)—C(15)—C(16)	119.87 (3)
C(8)—P(1)—C(14)	97.875 (8)	C(14)—C(15)—H(15)	118.466 (18)
C(2)—C(1)—C(3)^i	119.319 (15)	C(16)—C(15)—H(15)	121.65 (3)
C(2)—C(1)—C(7)^i	122.946 (17)	C(15)—C(16)—C(17)	120.14 (4)
C(3)^i—C(1)—C(7)^i	117.672 (16)	C(15)—C(16)—H(16)	120.33 (5)
P(1)—C(2)—C(1)	121.616 (12)	C(17)—C(16)—H(16)	119.53 (4)
P(1)—C(2)—C(3)	118.217 (12)	C(16)—C(17)—C(18)	120.07 (4)
C(1)—C(2)—C(3)	120.122 (16)	C(16)—C(17)—H(17)	119.48 (4)
C(1)^i—C(3)—C(2)	120.014 (16)	C(18)—C(17)—H(17)	120.45 (4)
C(1)^i—C(3)—C(4)	117.781 (16)	C(17)—C(18)—C(19)	120.19 (4)
C(2)—C(3)—C(4)	122.150 (17)	C(17)—C(18)—H(18)	120.21 (4)
C(3)—C(4)—C(5)	121.36 (4)	C(19)—C(18)—H(18)	119.59 (4)
C(3)—C(4)—H(4)	118.346 (18)	C(14)—C(19)—C(18)	119.76 (3)
C(5)—C(4)—H(4)	120.21 (4)	C(14)—C(19)—H(19)	120.739 (15)
C(4)—C(5)—C(6)	120.21 (6)	C(18)—C(19)—H(19)	119.49 (3)
C(4)—C(5)—H(5)	119.17 (7)	C(21)—C(20)—H(20A)	109.19 (9)
C(6)—C(5)—H(5)	120.62 (7)	C(21)—C(20)—H(20B)	111.52 (8)
C(5)—C(6)—C(7)	119.70 (6)	C(21)—C(20)—H(20C)	109.82 (8)
C(5)—C(6)—H(6)	119.94 (7)	H(20A)—C(20)—H(20B)	111.21 (9)
C(7)—C(6)—H(6)	120.35 (8)	H(20A)—C(20)—H(20C)	109.66 (8)
C(1)^i—C(7)—C(6)	121.63 (4)	H(20B)—C(20)—H(20C)	105.39 (8)
C(1)^i—C(7)—H(7)	118.014 (19)	C(20)—C(21)—C(22)	120.68 (9)
C(6)—C(7)—H(7)	120.32 (4)	C(20)—C(21)—C(26)	120.80 (10)
P(1)—C(8)—C(9)	117.84 (2)	C(22)—C(21)—C(26)	118.49 (15)
P(1)—C(8)—C(13)	121.693 (12)	C(21)—C(22)—C(23)	120.83 (11)
C(9)—C(8)—C(13)	119.93 (2)	C(21)—C(22)—H(22)	119.13 (11)
C(8)—C(9)—C(10)	119.82 (4)	C(23)—C(22)—H(22)	120.01 (11)
C(8)—C(9)—H(9)	119.29 (3)	C(22)—C(23)—C(24)	120.37 (7)
C(10)—C(9)—H(9)	120.89 (4)	C(22)—C(23)—H(23)	118.52 (9)
C(9)—C(10)—C(11)	120.08 (4)	C(24)—C(23)—H(23)	121.02 (7)
C(9)—C(10)—H(10)	119.12 (5)	C(23)—C(24)—C(25)	119.16 (6)
C(11)—C(10)—H(10)	120.80 (4)	C(23)—C(24)—H(24)	119.78 (7)
C(10)—C(11)—C(12)	120.23 (4)	C(25)—C(24)—H(24)	121.04 (7)
C(10)—C(11)—H(11)	120.24 (4)	C(24)—C(25)—C(26)	120.95 (7)
C(12)—C(11)—H(11)	119.51 (4)	C(24)—C(25)—H(25)	119.21 (9)
C(11)—C(12)—C(13)	120.09 (4)	C(26)—C(25)—H(25)	119.83 (11)
C(11)—C(12)—H(12)	120.34 (4)	C(21)—C(26)—C(25)	120.20 (12)
C(13)—C(12)—H(12)	119.56 (4)	C(21)—C(26)—H(26)	118.80 (11)
C(8)—C(13)—C(12)	119.85 (2)	C(25)—C(26)—H(26)	121.00 (11)
C(8)—C(13)—H(13)	120.968 (15)

Symmetry code: (i) −x+1, −y+1, −z+2.

(SPAnPS_AnisoQ0)

Crystal data

C38H28P2S2·2(C7H8)	F(000) = 836
Mr = 794.93	Dx = 1.272 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7687 Å	Cell parameters from 9597 reflections
b = 14.7934 Å	θ = 2.2–30.4°
c = 13.4133 Å	µ = 0.24 mm^−1
β = 103.813°	T = 100 K
V = 2075.02 Å^3	Block, yellow
Z = 2	0.25 × 0.2 × 0.2 mm

Data collection

Bruker Smart APEX II Ultra diffractometer	17007 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.032
Absorption correction: multi-scan SADABS-2016/2	θmax = 52.9°, θmin = 2.1°
Tmin = 0.708, Tmax = 0.750	h = −24→24
194731 measured reflections	k = −27→33
24426 independent reflections	l = −29→29

Refinement

Refinement on F^2	814 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.025	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.017	(Δ/σ)max = 0.057
S = 1.22	Δρmax = 0.18 e Å^−3
22130 reflections	Δρmin = −0.19 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.672683 (13)	0.479364 (9)	0.729746 (9)	0.028
P(1)	0.535277 (9)	0.424666 (6)	0.781062 (7)	0.015
C(1)	0.577687 (14)	0.422228 (11)	0.998268 (13)	0.015
C(2)	0.523282 (13)	0.468624 (10)	0.905818 (13)	0.014
C(3)	0.453327 (15)	0.549310 (11)	0.907968 (14)	0.015
C(4)	0.415953 (18)	0.607083 (12)	0.820060 (15)	0.018
C(5)	0.33984 (5)	0.68074 (4)	0.82085 (6)	0.021
C(6)	0.28990 (5)	0.69893 (4)	0.90776 (6)	0.021
C(7)	0.332056 (17)	0.650065 (12)	0.995710 (16)	0.018
C(8)	0.377279 (17)	0.436452 (10)	0.694945 (11)	0.016
C(9)	0.37004 (4)	0.44563 (2)	0.59023 (3)	0.024
C(10)	0.25127 (5)	0.44271 (3)	0.52015 (3)	0.031
C(11)	0.14085 (5)	0.43024 (3)	0.55449 (3)	0.029
C(12)	0.14772 (4)	0.42148 (2)	0.65894 (3)	0.024
C(13)	0.265589 (16)	0.424703 (11)	0.729364 (13)	0.018
C(14)	0.541334 (15)	0.301818 (11)	0.785471 (11)	0.016
C(15)	0.62303 (2)	0.258133 (14)	0.735125 (15)	0.026
C(16)	0.61965 (5)	0.16427 (3)	0.72628 (3)	0.035
C(17)	0.53495 (4)	0.11449 (3)	0.76745 (3)	0.03
C(18)	0.45321 (4)	0.15808 (3)	0.81786 (3)	0.024
C(19)	0.456008 (16)	0.251553 (11)	0.827113 (13)	0.018
C(20)	0.83377 (11)	0.28709 (7)	0.55690 (7)	0.043
C(21)	0.71587 (12)	0.24164 (8)	0.49723 (7)	0.029
C(22)	0.70974 (10)	0.14786 (8)	0.48918 (5)	0.035
C(23)	0.59844 (8)	0.10511 (7)	0.43671 (5)	0.044
C(24)	0.49171 (9)	0.15533 (6)	0.39085 (5)	0.052
C(25)	0.49723 (8)	0.24850 (9)	0.39809 (5)	0.052
C(26)	0.60789 (11)	0.29192 (8)	0.45064 (6)	0.039
H(4)	0.453825	0.592946	0.753867	0.033
H(5)	0.317604	0.724526	0.754325	0.038
H(6)	0.219276	0.751633	0.904205	0.038
H(7)	0.295244	0.663522	1.062587	0.035
H(9)	0.45726	0.454318	0.564589	0.046
H(10)	0.246822	0.449737	0.439059	0.055
H(11)	0.049022	0.425335	0.500072	0.052
H(12)	0.061775	0.410763	0.685837	0.041
H(13)	0.269405	0.417148	0.810294	0.038
H(15)	0.687016	0.29887	0.702631	0.052
H(16)	0.682182	0.129901	0.686334	0.066
H(17)	0.53226	0.041737	0.758766	0.052
H(18)	0.386189	0.119363	0.849251	0.043
H(19)	0.390827	0.284739	0.865492	0.037
H(20A)	0.816163	0.359453	0.560058	0.111
H(20B)	0.915451	0.273367	0.52443	0.08
H(20C)	0.859571	0.259864	0.634597	0.1
H(22)	0.792221	0.108205	0.526493	0.055
H(23)	0.595345	0.031988	0.436601	0.056
H(24)	0.404805	0.121314	0.351564	0.119
H(25)	0.412983	0.287645	0.363701	0.113
H(26)	0.612336	0.364862	0.456611	0.061

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.02484 (7)	0.02902 (7)	0.03394 (8)	−0.00783 (5)	0.01447 (5)	0.00052 (5)
P(1)	0.01542 (6)	0.01506 (6)	0.01516 (6)	−0.00152 (3)	0.00433 (3)	−0.00091 (3)
C(1)	0.01533 (6)	0.01228 (6)	0.01457 (7)	0.00144 (5)	−0.00042 (4)	−0.00159 (5)
C(2)	0.01542 (6)	0.01243 (6)	0.01405 (6)	0.00082 (5)	0.00085 (4)	−0.00133 (4)
C(3)	0.01648 (7)	0.01178 (6)	0.01409 (7)	0.00095 (5)	0.00022 (4)	−0.00100 (5)
C(4)	0.02253 (8)	0.01308 (7)	0.01586 (7)	0.00115 (6)	0.00026 (5)	0.00041 (5)
C(5)	0.02511 (8)	0.01414 (7)	0.01903 (8)	0.00342 (6)	−0.00182 (6)	0.00096 (6)
C(6)	0.02232 (8)	0.01650 (7)	0.02071 (9)	0.00617 (6)	−0.00255 (6)	−0.00121 (6)
C(7)	0.01797 (7)	0.01641 (7)	0.01833 (8)	0.00472 (6)	−0.00081 (5)	−0.00247 (6)
C(8)	0.01958 (7)	0.01453 (7)	0.01282 (6)	−0.00074 (4)	0.00217 (5)	0.00016 (4)
C(9)	0.03295 (10)	0.02394 (8)	0.01353 (7)	−0.00268 (6)	0.00405 (6)	0.00216 (5)
C(10)	0.04197 (12)	0.02936 (10)	0.01516 (7)	−0.00107 (7)	−0.00410 (7)	0.00269 (6)
C(11)	0.03090 (9)	0.02402 (8)	0.02399 (8)	0.00252 (6)	−0.00977 (7)	−0.00227 (6)
C(12)	0.01900 (7)	0.02128 (7)	0.02688 (8)	0.00134 (5)	−0.00291 (5)	−0.00456 (6)
C(13)	0.01692 (7)	0.01864 (7)	0.01726 (7)	−0.00016 (5)	0.00145 (5)	−0.00189 (5)
C(14)	0.01788 (7)	0.01505 (7)	0.01542 (6)	0.00191 (4)	0.00441 (5)	−0.00175 (4)
C(15)	0.03603 (10)	0.02208 (8)	0.02592 (8)	0.01042 (7)	0.01701 (7)	0.00171 (6)
C(16)	0.05844 (15)	0.02224 (9)	0.02977 (10)	0.01755 (9)	0.02054 (10)	0.00124 (7)
C(17)	0.04947 (13)	0.01516 (7)	0.02405 (8)	0.00789 (7)	0.00346 (8)	−0.00151 (5)
C(18)	0.02723 (8)	0.01403 (7)	0.02540 (8)	−0.00041 (5)	−0.00143 (6)	0.00111 (5)
C(19)	0.01865 (7)	0.01424 (6)	0.02195 (7)	−0.00046 (5)	0.00400 (5)	−0.00045 (5)
C(20)	0.03182 (15)	0.05894 (19)	0.03978 (14)	−0.00735 (13)	0.01327 (12)	−0.01391 (13)
C(21)	0.02679 (11)	0.03903 (15)	0.02443 (10)	0.00128 (12)	0.01022 (9)	−0.00122 (9)
C(22)	0.03328 (13)	0.03917 (15)	0.03401 (12)	0.00460 (11)	0.01220 (9)	−0.00340 (10)
C(23)	0.04467 (17)	0.04835 (16)	0.04518 (15)	−0.00949 (13)	0.02017 (13)	−0.01201 (12)
C(24)	0.03313 (13)	0.0793 (3)	0.04289 (15)	−0.01386 (16)	0.00876 (11)	−0.01330 (16)
C(25)	0.03192 (13)	0.0758 (3)	0.04338 (15)	0.00724 (15)	0.00007 (11)	0.00597 (15)
C(26)	0.03636 (14)	0.04468 (16)	0.03703 (13)	0.00651 (13)	0.00807 (11)	0.00825 (11)
H(4)	0.042 (2)	0.029 (2)	0.031 (2)	−0.0036 (19)	0.0153 (18)	0.0008 (17)
H(5)	0.055 (3)	0.025 (2)	0.030 (2)	0.012 (2)	0.0022 (19)	0.0076 (18)
H(6)	0.036 (2)	0.031 (2)	0.044 (3)	0.018 (2)	0.0014 (17)	−0.0018 (18)
H(7)	0.031 (2)	0.050 (3)	0.026 (2)	0.015 (2)	0.0100 (16)	0.0018 (18)
H(9)	0.052 (3)	0.058 (3)	0.033 (2)	−0.0030 (19)	0.0194 (19)	0.0047 (17)
H(10)	0.069 (3)	0.075 (3)	0.016 (2)	−0.007 (2)	−0.0004 (19)	0.0081 (18)
H(11)	0.040 (2)	0.056 (3)	0.044 (2)	0.0068 (19)	−0.0211 (19)	−0.0021 (19)
H(12)	0.020 (2)	0.048 (2)	0.053 (2)	0.0031 (16)	0.0070 (17)	−0.0058 (17)
H(13)	0.031 (2)	0.058 (3)	0.028 (2)	−0.0109 (16)	0.0115 (16)	−0.0040 (17)
H(15)	0.067 (3)	0.038 (2)	0.064 (3)	0.008 (2)	0.041 (2)	0.0072 (19)
H(16)	0.114 (4)	0.041 (2)	0.064 (3)	0.028 (2)	0.061 (3)	−0.0014 (19)
H(17)	0.082 (3)	0.023 (2)	0.052 (2)	0.010 (2)	0.015 (2)	−0.0026 (18)
H(18)	0.037 (2)	0.028 (2)	0.060 (3)	−0.0079 (16)	0.0077 (19)	0.0071 (17)
H(19)	0.040 (2)	0.026 (2)	0.053 (2)	−0.0021 (16)	0.0270 (19)	−0.0053 (16)
H(20A)	0.070 (5)	0.073 (7)	0.175 (9)	0.005 (4)	−0.002 (5)	−0.011 (4)
H(20B)	0.086 (6)	0.101 (6)	0.059 (4)	−0.030 (4)	0.029 (4)	−0.025 (4)
H(20C)	0.051 (4)	0.147 (6)	0.101 (8)	−0.027 (5)	0.019 (4)	−0.056 (5)
H(22)	0.046 (3)	0.054 (3)	0.064 (3)	0.017 (3)	0.009 (2)	−0.005 (2)
H(23)	0.065 (3)	0.024 (3)	0.084 (3)	−0.016 (2)	0.026 (3)	−0.020 (2)
H(24)	0.075 (4)	0.183 (7)	0.096 (5)	−0.051 (4)	0.012 (3)	−0.052 (4)
H(25)	0.068 (4)	0.149 (6)	0.105 (5)	0.014 (4)	−0.015 (3)	0.005 (4)
H(26)	0.074 (4)	0.042 (3)	0.071 (3)	0.010 (2)	0.023 (3)	0.014 (2)

Geometric parameters (Å, º)

S(1)—P(1)	1.9505 (2)	C(14)—C(15)	1.3898 (2)
P(1)—C(2)	1.8284 (2)	C(14)—C(19)	1.3980 (2)
P(1)—C(8)	1.8224 (2)	C(15)—C(16)	1.3933 (5)
P(1)—C(14)	1.8190 (2)	C(15)—H(15)	1.0823 (2)
C(1)—C(2)	1.4160 (2)	C(16)—C(17)	1.3856 (7)
C(1)—C(3)^i	1.4392 (2)	C(16)—H(16)	1.0823 (5)
C(1)—C(7)^i	1.4344 (2)	C(17)—C(18)	1.3899 (6)
C(2)—C(3)	1.4154 (2)	C(17)—H(17)	1.0822 (5)
C(3)—C(4)	1.4339 (2)	C(18)—C(19)	1.3881 (4)
C(4)—C(5)	1.3650 (7)	C(18)—H(18)	1.0822 (5)
C(4)—H(4)	1.0823 (2)	C(19)—H(19)	1.0822 (2)
C(5)—C(6)	1.4213 (11)	C(20)—C(21)	1.4898 (17)
C(5)—H(5)	1.0823 (7)	C(20)—H(20A)	1.0897 (9)
C(6)—C(7)	1.3655 (8)	C(20)—H(20B)	1.0897 (7)
C(6)—H(6)	1.0822 (7)	C(20)—H(20C)	1.0897 (8)
C(7)—H(7)	1.0822 (2)	C(21)—C(22)	1.3917 (16)
C(8)—C(9)	1.3946 (4)	C(21)—C(26)	1.3960 (15)
C(8)—C(13)	1.3983 (2)	C(22)—C(23)	1.3890 (15)
C(9)—C(10)	1.3954 (6)	C(22)—H(22)	1.0823 (11)
C(9)—H(9)	1.0822 (4)	C(23)—C(24)	1.3834 (14)
C(10)—C(11)	1.3863 (7)	C(23)—H(23)	1.0823 (10)
C(10)—H(10)	1.0822 (5)	C(24)—C(25)	1.3820 (15)
C(11)—C(12)	1.3913 (6)	C(24)—H(24)	1.0823 (11)
C(11)—H(11)	1.0823 (5)	C(25)—C(26)	1.3887 (16)
C(12)—C(13)	1.3903 (4)	C(25)—H(25)	1.0822 (10)
C(12)—H(12)	1.0823 (5)	C(26)—H(26)	1.0822 (12)
C(13)—H(13)	1.0823 (2)
S(1)—P(1)—C(2)	113.625 (7)	C(12)—C(13)—H(13)	119.19 (2)
S(1)—P(1)—C(8)	114.127 (8)	P(1)—C(14)—C(15)	118.083 (14)
S(1)—P(1)—C(14)	113.680 (8)	P(1)—C(14)—C(19)	121.503 (12)
C(2)—P(1)—C(8)	106.667 (8)	C(15)—C(14)—C(19)	119.970 (17)
C(2)—P(1)—C(14)	109.597 (8)	C(14)—C(15)—C(16)	119.88 (3)
C(8)—P(1)—C(14)	97.874 (8)	C(14)—C(15)—H(15)	118.328 (18)
C(2)—C(1)—C(3)^i	119.319 (15)	C(16)—C(15)—H(15)	121.79 (3)
C(2)—C(1)—C(7)^i	122.944 (17)	C(15)—C(16)—C(17)	120.13 (4)
C(3)^i—C(1)—C(7)^i	117.674 (16)	C(15)—C(16)—H(16)	120.25 (5)
P(1)—C(2)—C(1)	121.616 (12)	C(17)—C(16)—H(16)	119.62 (4)
P(1)—C(2)—C(3)	118.217 (12)	C(16)—C(17)—C(18)	120.06 (4)
C(1)—C(2)—C(3)	120.122 (16)	C(16)—C(17)—H(17)	119.27 (4)
C(1)^i—C(3)—C(2)	120.014 (16)	C(18)—C(17)—H(17)	120.66 (4)
C(1)^i—C(3)—C(4)	117.782 (16)	C(17)—C(18)—C(19)	120.19 (4)
C(2)—C(3)—C(4)	122.149 (17)	C(17)—C(18)—H(18)	120.16 (4)
C(3)—C(4)—C(5)	121.37 (4)	C(19)—C(18)—H(18)	119.65 (4)
C(3)—C(4)—H(4)	118.208 (18)	C(14)—C(19)—C(18)	119.77 (3)
C(5)—C(4)—H(4)	120.35 (4)	C(14)—C(19)—H(19)	120.769 (15)
C(4)—C(5)—C(6)	120.20 (6)	C(18)—C(19)—H(19)	119.45 (3)
C(4)—C(5)—H(5)	119.10 (7)	C(21)—C(20)—H(20A)	109.29 (9)
C(6)—C(5)—H(5)	120.69 (7)	C(21)—C(20)—H(20B)	111.52 (8)
C(5)—C(6)—C(7)	119.70 (6)	C(21)—C(20)—H(20C)	109.69 (8)
C(5)—C(6)—H(6)	119.99 (7)	H(20A)—C(20)—H(20B)	111.30 (9)
C(7)—C(6)—H(6)	120.31 (7)	H(20A)—C(20)—H(20C)	109.45 (8)
C(1)^i—C(7)—C(6)	121.63 (4)	H(20B)—C(20)—H(20C)	105.52 (8)
C(1)^i—C(7)—H(7)	117.894 (19)	C(20)—C(21)—C(22)	120.67 (9)
C(6)—C(7)—H(7)	120.44 (4)	C(20)—C(21)—C(26)	120.79 (10)
P(1)—C(8)—C(9)	117.83 (2)	C(22)—C(21)—C(26)	118.52 (15)
P(1)—C(8)—C(13)	121.691 (12)	C(21)—C(22)—C(23)	120.82 (11)
C(9)—C(8)—C(13)	119.93 (2)	C(21)—C(22)—H(22)	119.08 (11)
C(8)—C(9)—C(10)	119.82 (4)	C(23)—C(22)—H(22)	120.07 (11)
C(8)—C(9)—H(9)	119.18 (3)	C(22)—C(23)—C(24)	120.37 (7)
C(10)—C(9)—H(9)	121.00 (4)	C(22)—C(23)—H(23)	118.58 (9)
C(9)—C(10)—C(11)	120.08 (4)	C(24)—C(23)—H(23)	120.94 (7)
C(9)—C(10)—H(10)	119.18 (5)	C(23)—C(24)—C(25)	119.15 (6)
C(11)—C(10)—H(10)	120.73 (4)	C(23)—C(24)—H(24)	119.79 (7)
C(10)—C(11)—C(12)	120.23 (4)	C(25)—C(24)—H(24)	121.04 (7)
C(10)—C(11)—H(11)	120.19 (4)	C(24)—C(25)—C(26)	120.95 (7)
C(12)—C(11)—H(11)	119.56 (4)	C(24)—C(25)—H(25)	119.08 (9)
C(11)—C(12)—C(13)	120.09 (4)	C(26)—C(25)—H(25)	119.96 (11)
C(11)—C(12)—H(12)	120.34 (4)	C(21)—C(26)—C(25)	120.19 (12)
C(13)—C(12)—H(12)	119.55 (4)	C(21)—C(26)—H(26)	118.74 (11)
C(8)—C(13)—C(12)	119.85 (2)	C(25)—C(26)—H(26)	121.07 (11)
C(8)—C(13)—H(13)	120.954 (15)

Symmetry code: (i) −x+1, −y+1, −z+2.

(SPAnPS_APD)

Crystal data

C38H28P2S2·2(C7H8)	F(000) = 836
Mr = 794.93	Dx = 1.272 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7687 Å	Cell parameters from 9597 reflections
b = 14.7934 Å	θ = 2.2–30.4°
c = 13.4133 Å	µ = 0.24 mm^−1
β = 103.813°	T = 100 K
V = 2075.02 Å^3	Block, yellow
Z = 2	0.25 × 0.2 × 0.2 mm

Data collection

Bruker Smart APEX II Ultra diffractometer	17007 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.032
Absorption correction: multi-scan SADABS-2016/2	θmax = 52.9°, θmin = 2.1°
Tmin = 0.708, Tmax = 0.750	h = −24→24
194731 measured reflections	k = −27→33
24426 independent reflections	l = −29→29

Refinement

Refinement on F^2	682 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.026	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.019	(Δ/σ)max = 0.034
S = 1.32	Δρmax = 0.24 e Å^−3
22130 reflections	Δρmin = −0.19 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.672698 (13)	0.479341 (8)	0.729764 (9)	0.028
P(1)	0.535281 (10)	0.424666 (7)	0.781066 (8)	0.015
C(1)	0.577691 (15)	0.422225 (12)	0.998271 (15)	0.015
C(2)	0.523275 (15)	0.468623 (10)	0.905820 (14)	0.014
C(3)	0.453329 (16)	0.549310 (12)	0.907965 (15)	0.015
C(4)	0.415957 (19)	0.607089 (13)	0.820058 (16)	0.018
C(5)	0.33988 (6)	0.68071 (4)	0.82091 (6)	0.021
C(6)	0.28994 (6)	0.69892 (4)	0.90778 (7)	0.021
C(7)	0.332065 (18)	0.650061 (13)	0.995707 (17)	0.018
C(8)	0.377274 (18)	0.436449 (10)	0.694948 (12)	0.016
C(9)	0.37004 (4)	0.44560 (2)	0.59022 (3)	0.024
C(10)	0.25124 (5)	0.44271 (3)	0.52020 (3)	0.031
C(11)	0.14082 (5)	0.43024 (3)	0.55452 (3)	0.029
C(12)	0.14766 (4)	0.42150 (2)	0.65894 (3)	0.024
C(13)	0.265571 (17)	0.424713 (12)	0.729363 (13)	0.018
C(14)	0.541334 (16)	0.301819 (12)	0.785472 (12)	0.016
C(15)	0.62298 (2)	0.258128 (15)	0.735115 (16)	0.026
C(16)	0.61947 (5)	0.16433 (3)	0.72626 (3)	0.035
C(17)	0.53491 (4)	0.11448 (3)	0.76746 (3)	0.03
C(18)	0.45311 (4)	0.15808 (3)	0.81781 (3)	0.024
C(19)	0.455994 (17)	0.251554 (12)	0.827116 (14)	0.018
C(20)	0.83372 (12)	0.28726 (6)	0.55660 (6)	0.043
C(21)	0.71591 (13)	0.24165 (8)	0.49723 (7)	0.029
C(22)	0.70960 (10)	0.14787 (9)	0.48911 (6)	0.035
C(23)	0.59844 (8)	0.10478 (7)	0.43669 (5)	0.044
C(24)	0.49209 (9)	0.15552 (6)	0.39094 (5)	0.052
C(25)	0.49731 (8)	0.24843 (9)	0.39809 (5)	0.052
C(26)	0.60791 (12)	0.29188 (8)	0.45062 (6)	0.039
H(4)	0.453562	0.593035	0.753711	0.034
H(5)	0.317295	0.724565	0.754448	0.041
H(6)	0.219538	0.751803	0.904071	0.039
H(7)	0.294899	0.663752	1.062357	0.029
H(9)	0.457156	0.454025	0.564367	0.038
H(10)	0.246488	0.449621	0.439047	0.041
H(11)	0.048906	0.425709	0.500163	0.042
H(12)	0.061631	0.410805	0.685721	0.039
H(13)	0.269242	0.417014	0.810253	0.032
H(15)	0.687025	0.298617	0.702411	0.039
H(16)	0.682007	0.129779	0.686464	0.045
H(17)	0.532066	0.04172	0.758848	0.046
H(18)	0.38624	0.119165	0.849145	0.041
H(19)	0.3907	0.284559	0.865529	0.033
H(20A)	0.816781	0.359675	0.560171	0.065
H(20B)	0.915629	0.27397	0.524264	0.067
H(20C)	0.85953	0.260459	0.634491	0.062
H(22)	0.791921	0.107955	0.526184	0.065
H(23)	0.594948	0.031669	0.436318	0.08
H(24)	0.405312	0.121038	0.35224	0.09
H(25)	0.412189	0.286768	0.363949	0.095
H(26)	0.611563	0.364857	0.456229	0.072

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.02491 (7)	0.02909 (8)	0.03399 (8)	−0.00786 (5)	0.01446 (5)	0.00050 (5)
P(1)	0.01549 (6)	0.01513 (6)	0.01525 (6)	−0.00150 (4)	0.00434 (3)	−0.00091 (3)
C(1)	0.01537 (7)	0.01231 (7)	0.01459 (7)	0.00145 (5)	−0.00043 (4)	−0.00159 (5)
C(2)	0.01544 (7)	0.01245 (6)	0.01408 (7)	0.00084 (5)	0.00086 (4)	−0.00132 (5)
C(3)	0.01653 (7)	0.01181 (7)	0.01412 (7)	0.00096 (5)	0.00022 (5)	−0.00100 (5)
C(4)	0.02260 (8)	0.01312 (7)	0.01584 (8)	0.00120 (6)	0.00032 (6)	0.00039 (6)
C(5)	0.02517 (9)	0.01416 (8)	0.01908 (9)	0.00344 (7)	−0.00182 (7)	0.00101 (6)
C(6)	0.02234 (9)	0.01653 (8)	0.02081 (9)	0.00621 (7)	−0.00249 (7)	−0.00123 (7)
C(7)	0.01801 (8)	0.01646 (7)	0.01832 (8)	0.00471 (6)	−0.00080 (6)	−0.00244 (6)
C(8)	0.01961 (7)	0.01456 (7)	0.01287 (6)	−0.00073 (4)	0.00215 (5)	0.00015 (4)
C(9)	0.03300 (10)	0.02398 (9)	0.01359 (7)	−0.00268 (6)	0.00408 (6)	0.00217 (5)
C(10)	0.04192 (13)	0.02954 (10)	0.01517 (8)	−0.00109 (8)	−0.00409 (7)	0.00271 (6)
C(11)	0.03092 (10)	0.02409 (9)	0.02403 (9)	0.00249 (7)	−0.00979 (7)	−0.00227 (7)
C(12)	0.01906 (8)	0.02134 (8)	0.02687 (9)	0.00136 (6)	−0.00292 (6)	−0.00453 (6)
C(13)	0.01696 (7)	0.01867 (7)	0.01731 (7)	−0.00015 (5)	0.00148 (5)	−0.00188 (5)
C(14)	0.01794 (7)	0.01504 (7)	0.01546 (7)	0.00189 (5)	0.00440 (5)	−0.00177 (5)
C(15)	0.03600 (11)	0.02214 (9)	0.02600 (9)	0.01041 (7)	0.01704 (8)	0.00172 (6)
C(16)	0.05887 (16)	0.02223 (9)	0.02997 (10)	0.01770 (10)	0.02087 (10)	0.00137 (7)
C(17)	0.04949 (13)	0.01520 (8)	0.02409 (9)	0.00783 (8)	0.00357 (8)	−0.00151 (6)
C(18)	0.02727 (9)	0.01403 (7)	0.02543 (8)	−0.00035 (6)	−0.00141 (6)	0.00110 (6)
C(19)	0.01866 (7)	0.01429 (7)	0.02195 (8)	−0.00048 (5)	0.00397 (5)	−0.00045 (5)
C(20)	0.03205 (16)	0.0585 (2)	0.04012 (15)	−0.00726 (14)	0.01342 (13)	−0.01376 (13)
C(21)	0.02686 (12)	0.03903 (16)	0.02444 (11)	0.00127 (12)	0.01028 (9)	−0.00124 (9)
C(22)	0.03311 (14)	0.03931 (16)	0.03412 (12)	0.00472 (12)	0.01205 (10)	−0.00338 (10)
C(23)	0.04448 (18)	0.04873 (17)	0.04501 (16)	−0.00950 (13)	0.02008 (14)	−0.01205 (13)
C(24)	0.03325 (14)	0.0796 (3)	0.04311 (17)	−0.01421 (17)	0.00893 (12)	−0.01350 (17)
C(25)	0.03187 (14)	0.0759 (3)	0.04348 (17)	0.00739 (16)	0.00004 (12)	0.00592 (16)
C(26)	0.03636 (15)	0.04434 (17)	0.03723 (14)	0.00627 (14)	0.00804 (12)	0.00806 (12)
H(4)	0.047553	0.031008	0.02606	0.002216	0.011514	0.00304
H(5)	0.059722	0.028273	0.02678	0.009185	−0.004026	0.007449
H(6)	0.036577	0.034332	0.035881	0.020094	−0.009341	−0.001601
H(7)	0.016956	0.037833	0.030511	0.004916	0.002859	−0.004834
H(9)	0.045412	0.040024	0.031529	−0.006957	0.013231	0.000514
H(10)	0.056558	0.03806	0.024816	−0.002466	0.003508	0.001691
H(11)	0.040722	0.044377	0.032723	0.002904	−0.005556	−0.004687
H(12)	0.029638	0.048617	0.036222	−0.001356	0.003347	−0.006291
H(13)	0.032547	0.037453	0.026376	−0.000969	0.005207	0.001033
H(15)	0.040667	0.041166	0.039557	−0.001339	0.017322	−0.007886
H(16)	0.050866	0.040671	0.042469	0.012173	0.01009	−0.015193
H(17)	0.069063	0.022767	0.041894	0.006401	0.004429	−0.00643
H(18)	0.058594	0.024943	0.038407	−0.00745	0.011625	0.000618
H(19)	0.037937	0.027007	0.036824	0.000043	0.014274	−0.001163
H(20A)	0.068674	0.060238	0.071414	−0.016353	0.02611	−0.019874
H(20B)	0.04028	0.09482	0.073471	−0.015046	0.026317	−0.028259
H(20C)	0.046226	0.092671	0.044105	0.000276	0.002062	−0.01032
H(22)	0.058208	0.058432	0.074879	0.022401	0.010289	−0.000386
H(23)	0.09462	0.05391	0.100075	−0.019596	0.039485	−0.022404
H(24)	0.050251	0.131668	0.083827	−0.033148	0.008042	−0.033156
H(25)	0.053134	0.123727	0.092501	0.029067	−0.012609	0.015437
H(26)	0.079264	0.049093	0.085681	0.013749	0.01817	0.014788

Geometric parameters (Å, º)

S(1)—P(1)	1.9503 (2)	C(14)—C(15)	1.3895 (2)
P(1)—C(2)	1.8284 (2)	C(14)—C(19)	1.3981 (2)
P(1)—C(8)	1.8225 (2)	C(15)—C(16)	1.3924 (5)
P(1)—C(14)	1.8189 (2)	C(15)—H(15)	1.0823 (2)
C(1)—C(2)	1.4161 (2)	C(16)—C(17)	1.3852 (7)
C(1)—C(3)^i	1.4392 (3)	C(16)—H(16)	1.0822 (5)
C(1)—C(7)^i	1.4342 (3)	C(17)—C(18)	1.3899 (6)
C(2)—C(3)	1.4154 (2)	C(17)—H(17)	1.0822 (5)
C(3)—C(4)	1.4340 (3)	C(18)—C(19)	1.3881 (4)
C(4)—C(5)	1.3645 (8)	C(18)—H(18)	1.0822 (5)
C(4)—H(4)	1.0823 (2)	C(19)—H(19)	1.0823 (2)
C(5)—C(6)	1.4208 (12)	C(20)—C(21)	1.4888 (18)
C(5)—H(5)	1.0822 (7)	C(20)—H(20A)	1.0897 (8)
C(6)—C(7)	1.3652 (8)	C(20)—H(20B)	1.0897 (7)
C(6)—H(6)	1.0822 (7)	C(20)—H(20C)	1.0897 (7)
C(7)—H(7)	1.0823 (2)	C(21)—C(22)	1.3920 (17)
C(8)—C(9)	1.3947 (4)	C(21)—C(26)	1.3958 (16)
C(8)—C(13)	1.3983 (2)	C(22)—C(23)	1.3898 (16)
C(9)—C(10)	1.3954 (6)	C(22)—H(22)	1.0823 (11)
C(9)—H(9)	1.0823 (4)	C(23)—C(24)	1.3841 (14)
C(10)—C(11)	1.3861 (7)	C(23)—H(23)	1.0823 (11)
C(10)—H(10)	1.0822 (5)	C(24)—C(25)	1.3780 (15)
C(11)—C(12)	1.3909 (6)	C(24)—H(24)	1.0822 (11)
C(11)—H(11)	1.0822 (5)	C(25)—C(26)	1.3883 (17)
C(12)—C(13)	1.3907 (4)	C(25)—H(25)	1.0822 (11)
C(12)—H(12)	1.0822 (5)	C(26)—H(26)	1.0822 (12)
C(13)—H(13)	1.0823 (2)
S(1)—P(1)—C(2)	113.629 (8)	C(12)—C(13)—H(13)	119.09 (3)
S(1)—P(1)—C(8)	114.138 (8)	P(1)—C(14)—C(15)	118.092 (15)
S(1)—P(1)—C(14)	113.671 (8)	P(1)—C(14)—C(19)	121.500 (13)
C(2)—P(1)—C(8)	106.663 (9)	C(15)—C(14)—C(19)	119.962 (18)
C(2)—P(1)—C(14)	109.598 (9)	C(14)—C(15)—C(16)	119.84 (3)
C(8)—P(1)—C(14)	97.871 (9)	C(14)—C(15)—H(15)	118.557 (19)
C(2)—C(1)—C(3)^i	119.313 (16)	C(16)—C(15)—H(15)	121.59 (3)
C(2)—C(1)—C(7)^i	122.948 (18)	C(15)—C(16)—C(17)	120.23 (4)
C(3)^i—C(1)—C(7)^i	117.676 (18)	C(15)—C(16)—H(16)	120.35 (5)
P(1)—C(2)—C(1)	121.612 (13)	C(17)—C(16)—H(16)	119.42 (4)
P(1)—C(2)—C(3)	118.216 (13)	C(16)—C(17)—C(18)	120.01 (4)
C(1)—C(2)—C(3)	120.128 (17)	C(16)—C(17)—H(17)	119.43 (4)
C(1)^i—C(3)—C(2)	120.013 (17)	C(18)—C(17)—H(17)	120.55 (4)
C(1)^i—C(3)—C(4)	117.777 (18)	C(17)—C(18)—C(19)	120.19 (4)
C(2)—C(3)—C(4)	122.155 (18)	C(17)—C(18)—H(18)	119.97 (4)
C(3)—C(4)—C(5)	121.34 (4)	C(19)—C(18)—H(18)	119.84 (4)
C(3)—C(4)—H(4)	118.36 (2)	C(14)—C(19)—C(18)	119.78 (3)
C(5)—C(4)—H(4)	120.23 (4)	C(14)—C(19)—H(19)	120.932 (16)
C(4)—C(5)—C(6)	120.25 (6)	C(18)—C(19)—H(19)	119.28 (3)
C(4)—C(5)—H(5)	119.27 (8)	C(21)—C(20)—H(20A)	109.81 (9)
C(6)—C(5)—H(5)	120.48 (8)	C(21)—C(20)—H(20B)	111.89 (8)
C(5)—C(6)—C(7)	119.69 (6)	C(21)—C(20)—H(20C)	109.74 (8)
C(5)—C(6)—H(6)	119.83 (8)	H(20A)—C(20)—H(20B)	110.78 (9)
C(7)—C(6)—H(6)	120.47 (8)	H(20A)—C(20)—H(20C)	108.82 (8)
C(1)^i—C(7)—C(6)	121.62 (4)	H(20B)—C(20)—H(20C)	105.70 (8)
C(1)^i—C(7)—H(7)	118.18 (2)	C(20)—C(21)—C(22)	120.86 (9)
C(6)—C(7)—H(7)	120.16 (4)	C(20)—C(21)—C(26)	120.72 (10)
P(1)—C(8)—C(9)	117.83 (2)	C(22)—C(21)—C(26)	118.40 (15)
P(1)—C(8)—C(13)	121.698 (13)	C(21)—C(22)—C(23)	121.11 (11)
C(9)—C(8)—C(13)	119.93 (2)	C(21)—C(22)—H(22)	119.24 (11)
C(8)—C(9)—C(10)	119.79 (4)	C(23)—C(22)—H(22)	119.63 (11)
C(8)—C(9)—H(9)	119.32 (4)	C(22)—C(23)—C(24)	119.81 (7)
C(10)—C(9)—H(9)	120.89 (4)	C(22)—C(23)—H(23)	119.04 (9)
C(9)—C(10)—C(11)	120.12 (4)	C(24)—C(23)—H(23)	121.05 (7)
C(9)—C(10)—H(10)	119.32 (5)	C(23)—C(24)—C(25)	119.62 (6)
C(11)—C(10)—H(10)	120.56 (4)	C(23)—C(24)—H(24)	119.04 (7)
C(10)—C(11)—C(12)	120.23 (4)	C(25)—C(24)—H(24)	121.31 (7)
C(10)—C(11)—H(11)	120.24 (4)	C(24)—C(25)—C(26)	120.86 (8)
C(12)—C(11)—H(11)	119.52 (4)	C(24)—C(25)—H(25)	118.48 (9)
C(11)—C(12)—C(13)	120.07 (4)	C(26)—C(25)—H(25)	120.63 (11)
C(11)—C(12)—H(12)	120.27 (4)	C(21)—C(26)—C(25)	120.19 (12)
C(13)—C(12)—H(12)	119.65 (4)	C(21)—C(26)—H(26)	119.17 (12)
C(8)—C(13)—C(12)	119.86 (3)	C(25)—C(26)—H(26)	120.64 (11)
C(8)—C(13)—H(13)	121.039 (16)

Symmetry code: (i) −x+1, −y+1, −z+2.

(SPAnPS_HARt)

Crystal data

C38H28P2S2·2(C7H8)	F(000) = 836
Mr = 794.93	Dx = 1.272 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7687 Å	Cell parameters from 9597 reflections
b = 14.7934 Å	θ = 2.2–30.4°
c = 13.4133 Å	µ = 0.24 mm^−1
β = 103.813°	T = 100 K
V = 2075.02 Å^3	Block, yellow
Z = 2	0.25 × 0.2 × 0.2 mm

Data collection

Bruker Smart APEX II Ultra diffractometer	17007 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.032
Absorption correction: multi-scan SADABS-2016/2	θmax = 52.9°, θmin = 2.1°
Tmin = 0.708, Tmax = 0.750	h = −24→24
194731 measured reflections	k = −27→33
24426 independent reflections	l = −29→29

Refinement

Least-squares matrix: full	0 constraints
R[F^2 > 2σ(F^2)] = 0.027	All H-atom parameters refined
wR(F^2) = 0.016	Weighting scheme based on measured s.u.'s w = 1/σ(F)
S = 1.94	(Δ/σ)max = 0.005
17241 reflections	Δρmax = 0.06 e Å^−3
451 parameters	Δρmin = −0.05 e Å^−3
0 restraints

Special details

Refinement. . If constraints were applied they are defined by zero eigenvalues of the least-squares hessian, see the value of _refine_ls_SVD_threshold

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C20	0.835436	0.286895	0.557889	0.046566
H20A	0.813813	0.355987	0.557361	0.163263
H20B	0.915515	0.274258	0.528081	0.128201
H20C	0.859179	0.266370	0.636940	0.160201
C21	0.715980	0.241608	0.497364	0.032157
C22	0.709684	0.147903	0.488885	0.037553
H22	0.792253	0.109233	0.525743	0.082303
C23	0.598332	0.104947	0.436323	0.047667
H23	0.595557	0.030274	0.436521	0.060497
C24	0.491410	0.156104	0.390164	0.053630
H24	0.408293	0.121269	0.353104	0.103532
C25	0.497321	0.249745	0.397703	0.051895
H25	0.411510	0.286887	0.363040	0.106965
C26	0.608479	0.291783	0.450930	0.041457
H26	0.613355	0.364091	0.456983	0.090074
P1	0.535253	0.424646	0.781079	0.016160
S1	0.672553	0.479325	0.729666	0.030225
C1	0.577695	0.422246	0.998270	0.015662
C2	0.523302	0.468640	0.905828	0.015601
C3	0.453286	0.549328	0.908032	0.015685
C4	0.415954	0.607058	0.820104	0.018733
H4	0.452660	0.592700	0.752972	0.037836
C5	0.339908	0.680768	0.820768	0.021049
H5	0.316567	0.724687	0.754687	0.044281
C6	0.290171	0.698942	0.907658	0.021504
H6	0.220140	0.751447	0.905628	0.044949
C7	0.332131	0.650036	0.995737	0.019245
H7	0.294818	0.664691	1.061484	0.038342
C8	0.377241	0.436483	0.694947	0.017289
C9	0.369547	0.445625	0.590214	0.025127
H9	0.455858	0.454435	0.565291	0.051758
C10	0.250716	0.442550	0.520087	0.030402
H10	0.245454	0.448746	0.439581	0.069944
C11	0.140183	0.429988	0.554529	0.027945
H11	0.047763	0.426073	0.499105	0.058109
C12	0.147612	0.421343	0.659067	0.023995
H12	0.061120	0.411535	0.685902	0.053747
C13	0.265627	0.424756	0.729324	0.019223
H13	0.269375	0.416624	0.809337	0.043894
C14	0.541282	0.301820	0.785463	0.017818
C15	0.622984	0.258144	0.735150	0.029618
H15	0.686265	0.298249	0.701047	0.066397
C16	0.619922	0.164304	0.726276	0.038293
H16	0.681060	0.129991	0.685255	0.087320
C17	0.535012	0.114285	0.767378	0.031034
H17	0.532950	0.040914	0.759686	0.066712
C18	0.453174	0.157995	0.817961	0.023866
H18	0.386295	0.119747	0.849265	0.052816
C19	0.456042	0.251566	0.827079	0.019921
H19	0.391515	0.284505	0.865474	0.042730

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C20	0.033476	0.063788	0.042435	−0.007096	0.013799	−0.014329
H20A	0.134686	0.062020	0.293084	0.058776	−0.019615	0.023983
H20B	0.075807	0.207246	0.101549	−0.033528	0.057935	−0.062028
H20C	0.123993	0.309199	0.047413	−0.048334	0.014432	−0.018677
C21	0.028757	0.041634	0.026081	0.001486	0.010647	−0.000994
C22	0.035645	0.041277	0.035739	0.005065	0.013052	−0.003211
H22	0.083172	0.070767	0.092972	0.033250	0.013997	−0.002709
C23	0.045802	0.050406	0.046794	−0.009601	0.019969	−0.011924
H23	0.068383	0.033256	0.079853	−0.017028	0.032466	−0.012532
C24	0.034631	0.081432	0.044828	−0.013813	0.008779	−0.012511
H24	0.074544	0.128045	0.108007	−0.040808	0.030415	−0.032286
C25	0.033769	0.076216	0.045700	0.006472	0.000386	0.005369
H25	0.055152	0.169971	0.095771	0.024964	−0.008934	−0.009234
C26	0.039400	0.046147	0.038823	0.006893	0.008887	0.008712
H26	0.106847	0.059391	0.103983	0.011260	0.044606	0.019683
P1	0.016640	0.015454	0.016387	−0.001394	0.004797	−0.000949
S1	0.025856	0.029624	0.035195	−0.007769	0.014683	0.000427
C1	0.016843	0.013878	0.016267	0.001440	0.000097	−0.001582
C2	0.016903	0.013911	0.015988	0.000867	0.001224	−0.001170
C3	0.018084	0.013250	0.015722	0.000847	0.000302	−0.000977
C4	0.024132	0.014409	0.017659	0.001133	0.000482	0.000360
H4	0.037467	0.037311	0.038730	−0.004238	0.009859	0.002641
C5	0.026591	0.015635	0.020919	0.003229	−0.001669	0.000869
H5	0.052069	0.032123	0.048650	0.004156	0.001561	−0.002832
C6	0.024262	0.018004	0.022247	0.006205	−0.002482	−0.001238
H6	0.043412	0.039557	0.051878	0.006469	0.005079	−0.007267
C7	0.019848	0.017954	0.019935	0.004606	−0.000643	−0.002516
H7	0.034022	0.039295	0.041708	0.010556	0.006623	0.002816
C8	0.021282	0.016052	0.014535	−0.000794	0.002595	0.000033
C9	0.034437	0.025342	0.015601	−0.002770	0.004475	0.002125
H9	0.056499	0.056047	0.042729	−0.001682	0.015022	0.005940
C10	0.043321	0.030867	0.017019	−0.001083	−0.004195	0.002594
H10	0.093158	0.079386	0.037289	−0.003448	0.010149	0.005237
C11	0.032303	0.025559	0.025972	0.002598	−0.009238	−0.002137
H11	0.053425	0.069562	0.051340	0.009602	−0.014834	0.004454
C12	0.020800	0.022571	0.028613	0.001350	−0.002682	−0.004528
H12	0.038231	0.055531	0.067479	0.009738	0.007557	−0.009929
C13	0.018563	0.020085	0.019022	−0.000132	0.001546	−0.001921
H13	0.037768	0.055505	0.038410	−0.009131	0.012654	−0.007396
C14	0.019651	0.016715	0.017087	0.001770	0.004808	−0.001888
C15	0.037612	0.023486	0.027754	0.010345	0.017219	0.001750
H15	0.075650	0.049094	0.074447	0.010389	0.044667	0.002332
C16	0.059819	0.023611	0.031449	0.017099	0.020490	0.001062
H16	0.135297	0.058823	0.067842	0.034290	0.060274	0.004785
C17	0.050441	0.016948	0.025712	0.007902	0.003568	−0.001573
H17	0.097184	0.034025	0.068927	0.005451	0.021099	−0.002746
C18	0.028869	0.015479	0.027251	−0.000418	−0.001349	0.001126
H18	0.051625	0.035930	0.070891	−0.002978	0.005397	0.010683
C19	0.020336	0.015705	0.023723	−0.000233	0.004144	−0.000504
H19	0.047818	0.023442	0.056930	−0.007384	0.025794	−0.004218

(SPANPS_Neutron_Data)

Crystal data

C38H28P2S2·2(C7H8)	Z = 2
Mr = 794.93	F(000) = 836
Monoclinic, P21/n	Dx = 1.275 Mg m^−3
a = 10.7687 (3) Å	Neutrons radiation
b = 14.7934 (4) Å	µ = 0.04 mm^−1
c = 13.4133 (3) Å	T = 100 K
β = 103.813 (1)°	Block, yellow
V = 2075.02 (9) Å^3	1.4 × 0.9 × 0.8 mm

Data collection

Anger camera modules diffractometer	11462 reflections with I > 2σ(I)
Radiation source: TOPAZ time-of-flight Laue diffractometer	Rint = 0.069
Absorption correction: multi-scan Mantid	θmax = 30.0°, θmin = 2.2°
	h = −19→22
39807 measured reflections	k = −36→34
11527 independent reflections	l = −32→33

Refinement

Refinement on F^2	451 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.067	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.118	(Δ/σ)max < 0.001
S = 1.39	Δρmax = 0.19 e Å^−3
39805 reflections	Δρmin = −0.18 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.67250 (14)	0.47933 (9)	0.72929 (10)	0.027
P(1)	0.53519 (6)	0.42460 (3)	0.78094 (4)	0.015
C(1)	0.57770 (4)	0.42227 (3)	0.99811 (3)	0.014
C(2)	0.52313 (4)	0.46839 (3)	0.90575 (3)	0.014
C(3)	0.45320 (4)	0.54936 (3)	0.90793 (3)	0.014
C(4)	0.41586 (5)	0.60708 (3)	0.82011 (3)	0.017
C(5)	0.33991 (5)	0.68102 (3)	0.82084 (3)	0.02
C(6)	0.29013 (5)	0.69888 (3)	0.90766 (3)	0.021
C(7)	0.33202 (5)	0.65009 (3)	0.99570 (3)	0.018
C(8)	0.37710 (5)	0.43644 (3)	0.69474 (3)	0.015
C(9)	0.36950 (6)	0.44551 (3)	0.59004 (3)	0.023
C(10)	0.25052 (6)	0.44245 (4)	0.51995 (3)	0.03
C(11)	0.14008 (6)	0.42998 (4)	0.55443 (4)	0.028
C(12)	0.14719 (5)	0.42117 (3)	0.65902 (4)	0.023
C(13)	0.26537 (5)	0.42464 (3)	0.72936 (3)	0.018
C(14)	0.54123 (5)	0.30182 (3)	0.78539 (3)	0.016
C(15)	0.62302 (6)	0.25785 (3)	0.73493 (4)	0.026
C(16)	0.62004 (8)	0.16431 (4)	0.72603 (4)	0.035
C(17)	0.53517 (7)	0.11406 (3)	0.76735 (4)	0.031
C(18)	0.45288 (5)	0.15781 (3)	0.81803 (4)	0.023
C(19)	0.45584 (5)	0.25168 (3)	0.82699 (3)	0.018
C(20)	0.83528 (8)	0.28739 (6)	0.55787 (6)	0.044
C(21)	0.71623 (6)	0.24125 (4)	0.49751 (4)	0.029
C(22)	0.70960 (7)	0.14763 (4)	0.48895 (4)	0.034
C(23)	0.59818 (8)	0.10501 (5)	0.43621 (5)	0.043
C(24)	0.49135 (8)	0.15592 (7)	0.38993 (5)	0.049
C(25)	0.49729 (8)	0.25045 (7)	0.39762 (6)	0.05
C(26)	0.60853 (7)	0.29170 (5)	0.45062 (5)	0.038
H(4)	0.45231 (13)	0.59350 (7)	0.75272 (7)	0.033
H(5)	0.31647 (14)	0.72472 (7)	0.75373 (8)	0.038
H(6)	0.21973 (13)	0.75203 (8)	0.90464 (9)	0.039
H(7)	0.29356 (13)	0.66427 (8)	1.06201 (8)	0.035
H(9)	0.45704 (15)	0.45492 (10)	0.56351 (8)	0.045
H(10)	0.24525 (17)	0.44800 (11)	0.43812 (8)	0.057
H(11)	0.04804 (15)	0.42580 (12)	0.49938 (10)	0.056
H(12)	0.06132 (13)	0.41038 (10)	0.68592 (10)	0.044
H(13)	0.26938 (12)	0.41752 (9)	0.81044 (7)	0.036
H(15)	0.68817 (17)	0.29878 (10)	0.70257 (11)	0.05
H(16)	0.6824 (2)	0.12931 (11)	0.68671 (13)	0.069
H(17)	0.53188 (19)	0.04040 (8)	0.75939 (11)	0.057
H(18)	0.38570 (15)	0.11807 (8)	0.84926 (11)	0.045
H(19)	0.39114 (14)	0.28512 (8)	0.86620 (10)	0.038
H(20A)	0.8228 (3)	0.3523 (2)	0.5692 (4)	0.153
H(20B)	0.8625 (2)	0.2619 (2)	0.63576 (15)	0.098
H(20C)	0.9169 (2)	0.2716 (2)	0.53161 (17)	0.096
H(22)	0.79237 (18)	0.10807 (12)	0.52593 (14)	0.063
H(23)	0.5940 (3)	0.03224 (15)	0.42989 (18)	0.085
H(24)	0.4051 (2)	0.1198 (2)	0.34941 (18)	0.091
H(25)	0.4151 (2)	0.2917 (2)	0.36223 (19)	0.099
H(26)	0.6127 (2)	0.36485 (12)	0.45618 (15)	0.069

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.0256 (6)	0.0262 (5)	0.0338 (5)	−0.0073 (5)	0.0137 (5)	0.0023 (4)
P(1)	0.0154 (2)	0.01418 (19)	0.01513 (17)	−0.00136 (17)	0.00488 (16)	−0.00098 (15)
C(1)	0.01541 (19)	0.01189 (14)	0.01442 (13)	0.00158 (13)	0.00019 (12)	−0.00176 (11)
C(2)	0.01578 (19)	0.01141 (14)	0.01361 (13)	0.00061 (13)	0.00105 (12)	−0.00121 (11)
C(3)	0.01675 (19)	0.01076 (14)	0.01388 (13)	0.00069 (13)	0.00029 (12)	−0.00130 (11)
C(4)	0.0226 (2)	0.01197 (15)	0.01565 (15)	0.00059 (14)	0.00047 (13)	0.00019 (12)
C(5)	0.0252 (2)	0.01277 (15)	0.01827 (16)	0.00325 (15)	−0.00208 (15)	0.00112 (13)
C(6)	0.0228 (2)	0.01562 (17)	0.01996 (17)	0.00635 (16)	−0.00236 (15)	−0.00167 (14)
C(7)	0.0184 (2)	0.01486 (16)	0.01730 (15)	0.00480 (14)	−0.00062 (14)	−0.00225 (12)
C(8)	0.0192 (2)	0.01373 (15)	0.01242 (13)	−0.00078 (13)	0.00259 (12)	−0.00005 (11)
C(9)	0.0327 (3)	0.02178 (19)	0.01299 (14)	−0.00283 (18)	0.00425 (15)	0.00234 (14)
C(10)	0.0426 (3)	0.0269 (2)	0.01404 (16)	−0.0010 (2)	−0.00360 (17)	0.00197 (16)
C(11)	0.0314 (3)	0.0218 (2)	0.02336 (19)	0.00241 (19)	−0.00882 (18)	−0.00186 (16)
C(12)	0.0193 (2)	0.0204 (2)	0.0264 (2)	0.00127 (16)	−0.00267 (17)	−0.00424 (16)
C(13)	0.0175 (2)	0.01761 (17)	0.01655 (14)	0.00007 (14)	0.00180 (13)	−0.00190 (13)
C(14)	0.0186 (2)	0.01426 (15)	0.01487 (14)	0.00196 (14)	0.00456 (13)	−0.00191 (12)
C(15)	0.0370 (3)	0.0214 (2)	0.0247 (2)	0.0106 (2)	0.0164 (2)	0.00104 (16)
C(16)	0.0586 (4)	0.0216 (2)	0.0284 (2)	0.0172 (2)	0.0200 (2)	0.00120 (18)
C(17)	0.0513 (4)	0.01441 (18)	0.0233 (2)	0.0078 (2)	0.0033 (2)	−0.00135 (15)
C(18)	0.0273 (3)	0.01304 (16)	0.02446 (19)	0.00010 (16)	−0.00177 (17)	0.00086 (14)
C(19)	0.0191 (2)	0.01346 (15)	0.02082 (17)	−0.00022 (14)	0.00407 (14)	−0.00046 (13)
C(20)	0.0315 (4)	0.0620 (5)	0.0393 (3)	−0.0069 (3)	0.0117 (3)	−0.0151 (3)
C(21)	0.0273 (3)	0.0374 (3)	0.0234 (2)	0.0013 (2)	0.01032 (19)	−0.00211 (19)
C(22)	0.0334 (3)	0.0376 (3)	0.0322 (3)	0.0045 (3)	0.0123 (2)	−0.0036 (2)
C(23)	0.0431 (4)	0.0485 (4)	0.0428 (3)	−0.0095 (3)	0.0193 (3)	−0.0128 (3)
C(24)	0.0327 (4)	0.0740 (6)	0.0407 (3)	−0.0125 (4)	0.0086 (3)	−0.0112 (3)
C(25)	0.0329 (4)	0.0716 (6)	0.0412 (3)	0.0066 (4)	0.0010 (3)	0.0065 (3)
C(26)	0.0371 (4)	0.0430 (4)	0.0347 (3)	0.0068 (3)	0.0096 (2)	0.0085 (2)
H(4)	0.0481 (7)	0.0272 (4)	0.0259 (4)	0.0054 (4)	0.0117 (4)	0.0033 (3)
H(5)	0.0533 (8)	0.0266 (5)	0.0314 (5)	0.0093 (5)	0.0031 (5)	0.0097 (4)
H(6)	0.0414 (7)	0.0330 (5)	0.0393 (5)	0.0184 (5)	0.0017 (5)	−0.0017 (4)
H(7)	0.0399 (7)	0.0369 (5)	0.0284 (4)	0.0134 (5)	0.0072 (4)	−0.0035 (4)
H(9)	0.0494 (8)	0.0609 (8)	0.0303 (5)	−0.0086 (6)	0.0179 (5)	0.0079 (5)
H(10)	0.0784 (11)	0.0661 (9)	0.0194 (4)	−0.0026 (8)	0.0003 (5)	0.0062 (5)
H(11)	0.0428 (8)	0.0669 (10)	0.0429 (6)	0.0026 (7)	−0.0196 (5)	−0.0026 (6)
H(12)	0.0267 (6)	0.0517 (7)	0.0518 (7)	−0.0001 (5)	0.0058 (5)	−0.0086 (5)
H(13)	0.0302 (6)	0.0539 (7)	0.0235 (4)	−0.0022 (5)	0.0078 (4)	−0.0004 (4)
H(15)	0.0600 (10)	0.0448 (7)	0.0605 (8)	0.0118 (7)	0.0420 (7)	0.0083 (6)
H(16)	0.1081 (16)	0.0472 (8)	0.0701 (9)	0.0359 (9)	0.0573 (10)	0.0051 (7)
H(17)	0.0946 (13)	0.0215 (5)	0.0533 (7)	0.0102 (6)	0.0140 (8)	−0.0031 (5)
H(18)	0.0456 (8)	0.0281 (5)	0.0610 (7)	−0.0077 (5)	0.0111 (6)	0.0075 (5)
H(19)	0.0372 (7)	0.0309 (5)	0.0549 (6)	0.0013 (5)	0.0261 (5)	−0.0001 (4)
H(20A)	0.0703 (18)	0.0835 (19)	0.260 (5)	−0.0053 (14)	−0.052 (2)	−0.056 (3)
H(20B)	0.0688 (15)	0.165 (3)	0.0547 (10)	−0.0282 (16)	0.0021 (9)	−0.0095 (13)
H(20C)	0.0466 (12)	0.166 (3)	0.0811 (12)	−0.0319 (14)	0.0267 (10)	−0.0443 (14)
H(22)	0.0544 (10)	0.0590 (10)	0.0743 (10)	0.0206 (8)	0.0121 (8)	0.0063 (8)
H(23)	0.0988 (17)	0.0608 (11)	0.1014 (15)	−0.0196 (11)	0.0386 (13)	−0.0330 (10)
H(24)	0.0486 (12)	0.137 (2)	0.0833 (13)	−0.0317 (12)	0.0084 (10)	−0.0361 (13)
H(25)	0.0503 (12)	0.144 (2)	0.0893 (14)	0.0302 (13)	−0.0098 (10)	0.0231 (14)
H(26)	0.0798 (14)	0.0449 (8)	0.0813 (11)	0.0087 (8)	0.0159 (10)	0.0131 (8)

Geometric parameters (Å, º)

S(1)—P(1)	1.9521 (13)	C(14)—C(15)	1.3934 (6)
P(1)—C(2)	1.8284 (6)	C(14)—C(19)	1.3972 (6)
P(1)—C(8)	1.8237 (7)	C(15)—C(16)	1.3886 (8)
P(1)—C(14)	1.8179 (6)	C(15)—H(15)	1.0920 (15)
C(1)—C(2)	1.4134 (5)	C(16)—C(17)	1.3917 (9)
C(1)—C(3)^i	1.4408 (5)	C(16)—H(16)	1.0796 (14)
C(1)—C(7)^i	1.4351 (6)	C(17)—C(18)	1.3978 (8)
C(2)—C(3)	1.4188 (6)	C(17)—H(17)	1.0948 (13)
C(3)—C(4)	1.4325 (6)	C(18)—C(19)	1.3936 (6)
C(4)—C(5)	1.3673 (6)	C(18)—H(18)	1.0904 (14)
C(4)—H(4)	1.0867 (10)	C(19)—H(19)	1.0871 (13)
C(5)—C(6)	1.4182 (7)	C(20)—C(21)	1.5064 (10)
C(5)—H(5)	1.0879 (11)	C(20)—H(20A)	0.986 (4)
C(6)—C(7)	1.3655 (6)	C(20)—H(20B)	1.083 (3)
C(6)—H(6)	1.0862 (12)	C(20)—H(20C)	1.049 (3)
C(7)—H(7)	1.0874 (11)	C(21)—C(22)	1.3902 (9)
C(8)—C(9)	1.3936 (5)	C(21)—C(26)	1.3962 (9)
C(8)—C(13)	1.4002 (7)	C(22)—C(23)	1.3901 (11)
C(9)—C(10)	1.3972 (8)	C(22)—H(22)	1.0825 (19)
C(9)—H(9)	1.0931 (15)	C(23)—C(24)	1.3910 (13)
C(10)—C(11)	1.3875 (9)	C(23)—H(23)	1.080 (2)
C(10)—H(10)	1.0886 (11)	C(24)—C(25)	1.4026 (14)
C(11)—C(12)	1.3927 (7)	C(24)—H(24)	1.097 (2)
C(11)—H(11)	1.0872 (14)	C(25)—C(26)	1.3806 (12)
C(12)—C(13)	1.3926 (7)	C(25)—H(25)	1.087 (2)
C(12)—H(12)	1.0817 (17)	C(26)—H(26)	1.085 (2)
C(13)—H(13)	1.0831 (10)
S(1)—P(1)—C(2)	113.79 (5)	C(12)—C(13)—H(13)	119.19 (8)
S(1)—P(1)—C(8)	114.00 (5)	P(1)—C(14)—C(15)	118.18 (4)
S(1)—P(1)—C(14)	113.69 (5)	P(1)—C(14)—C(19)	121.45 (4)
C(2)—P(1)—C(8)	106.67 (3)	C(15)—C(14)—C(19)	119.91 (4)
C(2)—P(1)—C(14)	109.50 (3)	C(14)—C(15)—C(16)	120.18 (5)
C(8)—P(1)—C(14)	97.90 (3)	C(14)—C(15)—H(15)	118.35 (8)
C(2)—C(1)—C(3)^i	119.44 (4)	C(16)—C(15)—H(15)	121.48 (8)
C(2)—C(1)—C(7)^i	123.03 (4)	C(15)—C(16)—C(17)	120.13 (5)
C(3)^i—C(1)—C(7)^i	117.48 (3)	C(15)—C(16)—H(16)	121.04 (12)
P(1)—C(2)—C(1)	121.72 (3)	C(17)—C(16)—H(16)	118.83 (11)
P(1)—C(2)—C(3)	118.17 (3)	C(16)—C(17)—C(18)	119.95 (5)
C(1)—C(2)—C(3)	120.08 (3)	C(16)—C(17)—H(17)	120.12 (11)
C(1)^i—C(3)—C(2)	119.90 (3)	C(18)—C(17)—H(17)	119.92 (11)
C(1)^i—C(3)—C(4)	117.88 (4)	C(17)—C(18)—C(19)	119.94 (5)
C(2)—C(3)—C(4)	122.17 (4)	C(17)—C(18)—H(18)	119.54 (9)
C(3)—C(4)—C(5)	121.46 (4)	C(19)—C(18)—H(18)	120.51 (9)
C(3)—C(4)—H(4)	119.18 (7)	C(14)—C(19)—C(18)	119.89 (4)
C(5)—C(4)—H(4)	119.30 (7)	C(14)—C(19)—H(19)	120.70 (7)
C(4)—C(5)—C(6)	119.93 (4)	C(18)—C(19)—H(19)	119.41 (8)
C(4)—C(5)—H(5)	119.37 (8)	C(21)—C(20)—H(20A)	113.21 (17)
C(6)—C(5)—H(5)	120.68 (8)	C(21)—C(20)—H(20B)	111.10 (16)
C(5)—C(6)—C(7)	120.00 (4)	C(21)—C(20)—H(20C)	113.12 (14)
C(5)—C(6)—H(6)	120.10 (7)	H(20A)—C(20)—H(20B)	101.9 (4)
C(7)—C(6)—H(6)	119.89 (8)	H(20A)—C(20)—H(20C)	115.2 (3)
C(1)^i—C(7)—C(6)	121.58 (4)	H(20B)—C(20)—H(20C)	101.0 (2)
C(1)^i—C(7)—H(7)	118.79 (7)	C(20)—C(21)—C(22)	121.08 (6)
C(6)—C(7)—H(7)	119.59 (7)	C(20)—C(21)—C(26)	120.58 (6)
P(1)—C(8)—C(9)	118.00 (4)	C(22)—C(21)—C(26)	118.33 (6)
P(1)—C(8)—C(13)	121.58 (3)	C(21)—C(22)—C(23)	121.00 (7)
C(9)—C(8)—C(13)	119.86 (4)	C(21)—C(22)—H(22)	118.70 (12)
C(8)—C(9)—C(10)	119.92 (5)	C(23)—C(22)—H(22)	120.28 (13)
C(8)—C(9)—H(9)	119.51 (9)	C(22)—C(23)—C(24)	120.20 (7)
C(10)—C(9)—H(9)	120.58 (8)	C(22)—C(23)—H(23)	120.45 (17)
C(9)—C(10)—C(11)	120.09 (4)	C(24)—C(23)—H(23)	119.35 (17)
C(9)—C(10)—H(10)	119.65 (11)	C(23)—C(24)—C(25)	119.25 (7)
C(11)—C(10)—H(10)	120.24 (11)	C(23)—C(24)—H(24)	118.02 (19)
C(10)—C(11)—C(12)	120.19 (5)	C(25)—C(24)—H(24)	122.72 (19)
C(10)—C(11)—H(11)	119.75 (10)	C(24)—C(25)—C(26)	119.82 (7)
C(12)—C(11)—H(11)	120.05 (11)	C(24)—C(25)—H(25)	120.66 (19)
C(11)—C(12)—C(13)	120.04 (5)	C(26)—C(25)—H(25)	119.5 (2)
C(11)—C(12)—H(12)	120.27 (9)	C(21)—C(26)—C(25)	121.40 (7)
C(13)—C(12)—H(12)	119.68 (9)	C(21)—C(26)—H(26)	119.06 (14)
C(8)—C(13)—C(12)	119.90 (4)	C(25)—C(26)—H(26)	119.55 (14)
C(8)—C(13)—H(13)	120.91 (8)

Symmetry code: (i) −x+1, −y+1, −z+2.

(SPAnPS_Neutron)

Crystal data

C38H28P2S2·2(C7H8)	F(000) = 836
Mr = 794.93	Dx = 1.272 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7687 Å	Cell parameters from 9597 reflections
b = 14.7934 Å	θ = 2.2–30.4°
c = 13.4133 Å	µ = 0.24 mm^−1
β = 103.813°	T = 100 K
V = 2075.02 Å^3	Block, yellow
Z = 2	0.25 × 0.2 × 0.2 mm

Data collection

Bruker Smart APEX II Ultra diffractometer	17007 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.032
Absorption correction: multi-scan SADABS-2016/2	θmax = 52.9°, θmin = 2.1°
Tmin = 0.708, Tmax = 0.750	h = −24→24
194731 measured reflections	k = −27→33
24426 independent reflections	l = −29→29

Refinement

Refinement on F^2	682 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.026	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.018	(Δ/σ)max = 0.068
S = 1.29	Δρmax = 0.25 e Å^−3
22130 reflections	Δρmin = −0.19 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.672695 (13)	0.479346 (8)	0.729767 (9)	0.028
P(1)	0.535280 (10)	0.424666 (6)	0.781066 (7)	0.015
C(1)	0.577691 (15)	0.422230 (12)	0.998268 (14)	0.015
C(2)	0.523277 (14)	0.468622 (10)	0.905820 (13)	0.014
C(3)	0.453328 (15)	0.549308 (12)	0.907970 (15)	0.015
C(4)	0.415970 (18)	0.607083 (13)	0.820043 (15)	0.018
C(5)	0.33982 (5)	0.68074 (4)	0.82086 (6)	0.021
C(6)	0.28985 (6)	0.69896 (4)	0.90778 (7)	0.021
C(7)	0.332042 (18)	0.650058 (13)	0.995714 (17)	0.018
C(8)	0.377283 (17)	0.436451 (10)	0.694949 (12)	0.016
C(9)	0.37008 (4)	0.44560 (2)	0.59018 (3)	0.024
C(10)	0.25136 (5)	0.44271 (3)	0.52012 (3)	0.031
C(11)	0.14080 (5)	0.43024 (2)	0.55446 (3)	0.029
C(12)	0.14774 (4)	0.42147 (2)	0.65899 (3)	0.024
C(13)	0.265575 (17)	0.424710 (11)	0.729370 (13)	0.018
C(14)	0.541331 (16)	0.301825 (12)	0.785473 (12)	0.016
C(15)	0.62305 (2)	0.258143 (14)	0.735119 (15)	0.026
C(16)	0.61962 (5)	0.16429 (3)	0.72624 (3)	0.035
C(17)	0.53490 (4)	0.11443 (3)	0.76743 (3)	0.03
C(18)	0.45317 (4)	0.15810 (3)	0.81786 (3)	0.024
C(19)	0.455995 (17)	0.251564 (12)	0.827125 (13)	0.018
C(20)	0.83345 (12)	0.28692 (6)	0.55638 (6)	0.043
C(21)	0.71601 (12)	0.24163 (8)	0.49728 (6)	0.029
C(22)	0.70973 (10)	0.14782 (8)	0.48914 (5)	0.035
C(23)	0.59854 (8)	0.10468 (7)	0.43681 (5)	0.045
C(24)	0.49194 (9)	0.15547 (5)	0.39091 (5)	0.052
C(25)	0.49726 (8)	0.24866 (8)	0.39807 (5)	0.052
C(26)	0.60781 (11)	0.29198 (8)	0.45062 (6)	0.039
H(4)	0.453685	0.592971	0.753402	0.034
H(5)	0.316857	0.724792	0.754033	0.039
H(6)	0.219208	0.752025	0.904228	0.04
H(7)	0.294516	0.663823	1.062587	0.036
H(9)	0.457888	0.454146	0.563815	0.047
H(10)	0.246631	0.449601	0.438494	0.058
H(11)	0.048371	0.425813	0.499949	0.057
H(12)	0.06158	0.411043	0.685595	0.045
H(13)	0.268716	0.416924	0.810225	0.037
H(15)	0.687567	0.29885	0.701857	0.052
H(16)	0.681503	0.129537	0.686318	0.071
H(17)	0.53259	0.040783	0.75911	0.059
H(18)	0.385415	0.118888	0.849017	0.046
H(19)	0.390174	0.284574	0.865595	0.04
H(20A)	0.815749	0.352297	0.556801	0.157
H(20B)	0.916411	0.273284	0.526362	0.101
H(20C)	0.859276	0.263503	0.632352	0.099
H(22)	0.791897	0.107692	0.526109	0.065
H(23)	0.594953	0.031722	0.436066	0.087
H(24)	0.404111	0.120274	0.351881	0.093
H(25)	0.411438	0.286755	0.363571	0.101
H(26)	0.611743	0.365131	0.456309	0.071

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.02490 (7)	0.02908 (8)	0.03398 (8)	−0.00783 (5)	0.01445 (5)	0.00052 (5)
P(1)	0.01548 (6)	0.01513 (6)	0.01523 (6)	−0.00151 (3)	0.00434 (3)	−0.00090 (3)
C(1)	0.01538 (7)	0.01233 (6)	0.01463 (7)	0.00143 (5)	−0.00042 (4)	−0.00159 (5)
C(2)	0.01549 (7)	0.01247 (6)	0.01409 (6)	0.00083 (5)	0.00087 (4)	−0.00133 (4)
C(3)	0.01656 (7)	0.01185 (7)	0.01411 (7)	0.00095 (5)	0.00024 (5)	−0.00099 (5)
C(4)	0.02262 (8)	0.01308 (7)	0.01591 (8)	0.00120 (6)	0.00027 (5)	0.00043 (6)
C(5)	0.02516 (9)	0.01418 (7)	0.01910 (9)	0.00345 (7)	−0.00178 (7)	0.00093 (6)
C(6)	0.02239 (8)	0.01655 (8)	0.02078 (9)	0.00618 (6)	−0.00252 (6)	−0.00120 (6)
C(7)	0.01802 (7)	0.01648 (7)	0.01837 (8)	0.00477 (6)	−0.00082 (5)	−0.00243 (6)
C(8)	0.01962 (7)	0.01460 (7)	0.01287 (6)	−0.00073 (4)	0.00218 (5)	0.00016 (4)
C(9)	0.03299 (10)	0.02401 (8)	0.01358 (7)	−0.00270 (6)	0.00400 (6)	0.00216 (5)
C(10)	0.04198 (12)	0.02950 (10)	0.01519 (7)	−0.00109 (8)	−0.00409 (7)	0.00269 (6)
C(11)	0.03097 (10)	0.02410 (9)	0.02401 (9)	0.00252 (7)	−0.00977 (7)	−0.00227 (6)
C(12)	0.01903 (7)	0.02139 (8)	0.02694 (9)	0.00135 (6)	−0.00291 (6)	−0.00454 (6)
C(13)	0.01694 (7)	0.01872 (7)	0.01733 (7)	−0.00016 (5)	0.00143 (5)	−0.00189 (5)
C(14)	0.01793 (7)	0.01509 (7)	0.01547 (6)	0.00190 (5)	0.00442 (5)	−0.00175 (4)
C(15)	0.03614 (10)	0.02212 (9)	0.02598 (9)	0.01044 (7)	0.01704 (7)	0.00171 (6)
C(16)	0.05858 (16)	0.02227 (9)	0.02984 (10)	0.01757 (9)	0.02058 (10)	0.00122 (7)
C(17)	0.04946 (13)	0.01522 (8)	0.02414 (9)	0.00792 (7)	0.00353 (8)	−0.00150 (6)
C(18)	0.02729 (9)	0.01407 (7)	0.02548 (8)	−0.00040 (5)	−0.00140 (6)	0.00110 (5)
C(19)	0.01872 (7)	0.01423 (7)	0.02203 (7)	−0.00049 (5)	0.00399 (5)	−0.00045 (5)
C(20)	0.03226 (16)	0.05893 (19)	0.04003 (14)	−0.00746 (14)	0.01369 (13)	−0.01386 (13)
C(21)	0.02687 (11)	0.03904 (15)	0.02447 (10)	0.00120 (12)	0.01025 (9)	−0.00128 (9)
C(22)	0.03320 (14)	0.03927 (16)	0.03407 (12)	0.00455 (11)	0.01211 (10)	−0.00344 (10)
C(23)	0.04444 (18)	0.04890 (17)	0.04509 (15)	−0.00949 (13)	0.02012 (14)	−0.01215 (12)
C(24)	0.03322 (14)	0.0795 (3)	0.04303 (16)	−0.01409 (17)	0.00886 (12)	−0.01332 (16)
C(25)	0.03193 (13)	0.0755 (3)	0.04349 (16)	0.00723 (16)	0.00003 (11)	0.00585 (16)
C(26)	0.03645 (15)	0.04452 (17)	0.03715 (13)	0.00626 (13)	0.00812 (11)	0.00808 (11)
H(4)	0.048378	0.028693	0.02699	0.005402	0.011826	0.003421
H(5)	0.053698	0.028067	0.032642	0.009481	0.002984	0.009982
H(6)	0.041593	0.034592	0.040755	0.01874	0.001624	−0.001705
H(7)	0.04006	0.038566	0.029552	0.013621	0.007251	−0.003526
H(9)	0.049697	0.063209	0.03153	−0.008888	0.018185	0.008122
H(10)	0.07944	0.068457	0.020372	−0.002748	0.00014	0.006347
H(11)	0.042972	0.069333	0.044429	0.002542	−0.020189	−0.002648
H(12)	0.02653	0.053706	0.05351	−0.000215	0.005833	−0.008781
H(13)	0.030045	0.055996	0.024617	−0.002368	0.007889	−0.00042
H(15)	0.060588	0.046717	0.062421	0.01196	0.042794	0.008517
H(16)	0.109825	0.049119	0.072302	0.036695	0.058496	0.005225
H(17)	0.095999	0.022806	0.055068	0.010339	0.014183	−0.003105
H(18)	0.045854	0.029649	0.062989	−0.00794	0.011197	0.007649
H(19)	0.03722	0.032443	0.056718	0.001198	0.026553	−0.000035
H(20A)	0.071169	0.086308	0.266553	−0.005506	−0.053209	−0.057711
H(20B)	0.069611	0.169317	0.056452	−0.028902	0.001987	−0.009653
H(20C)	0.046906	0.17119	0.083503	−0.032756	0.02722	−0.045318
H(22)	0.054848	0.061222	0.076546	0.021029	0.012291	0.006472
H(23)	0.100297	0.063098	0.104309	−0.020158	0.039352	−0.033691
H(24)	0.048897	0.140837	0.085752	−0.032491	0.008494	−0.036897
H(25)	0.050682	0.14812	0.091945	0.030791	−0.010124	0.023684
H(26)	0.080894	0.046788	0.083763	0.008866	0.016166	0.013464

Geometric parameters (Å, º)

S(1)—P(1)	1.9503 (2)	C(14)—C(15)	1.3899 (2)
P(1)—C(2)	1.8284 (2)	C(14)—C(19)	1.3981 (2)
P(1)—C(8)	1.8224 (2)	C(15)—C(16)	1.3933 (5)
P(1)—C(14)	1.8189 (2)	C(15)—H(15)	1.0920 (2)
C(1)—C(2)	1.4160 (2)	C(16)—C(17)	1.3864 (7)
C(1)—C(3)^i	1.4392 (3)	C(16)—H(16)	1.0796 (5)
C(1)—C(7)^i	1.4344 (3)	C(17)—C(18)	1.3907 (6)
C(2)—C(3)	1.4154 (2)	C(17)—H(17)	1.0948 (5)
C(3)—C(4)	1.4341 (3)	C(18)—C(19)	1.3880 (4)
C(4)—C(5)	1.3654 (8)	C(18)—H(18)	1.0904 (5)
C(4)—H(4)	1.0867 (2)	C(19)—H(19)	1.0871 (2)
C(5)—C(6)	1.4216 (11)	C(20)—C(21)	1.4826 (18)
C(5)—H(5)	1.0879 (7)	C(20)—H(20A)	0.9860 (7)
C(6)—C(7)	1.3657 (8)	C(20)—H(20B)	1.0830 (7)
C(6)—H(6)	1.0862 (7)	C(20)—H(20C)	1.0490 (7)
C(7)—H(7)	1.0874 (2)	C(21)—C(22)	1.3924 (17)
C(8)—C(9)	1.3954 (4)	C(21)—C(26)	1.3985 (15)
C(8)—C(13)	1.3984 (2)	C(22)—C(23)	1.3900 (16)
C(9)—C(10)	1.3949 (6)	C(22)—H(22)	1.0825 (11)
C(9)—H(9)	1.0931 (4)	C(23)—C(24)	1.3870 (14)
C(10)—C(11)	1.3877 (7)	C(23)—H(23)	1.0800 (11)
C(10)—H(10)	1.0886 (5)	C(24)—C(25)	1.3822 (15)
C(11)—C(12)	1.3923 (6)	C(24)—H(24)	1.0970 (11)
C(11)—H(11)	1.0872 (5)	C(25)—C(26)	1.3871 (16)
C(12)—C(13)	1.3898 (4)	C(25)—H(25)	1.0870 (10)
C(12)—H(12)	1.0817 (5)	C(26)—H(26)	1.0850 (12)
C(13)—H(13)	1.0831 (2)
S(1)—P(1)—C(2)	113.627 (8)	C(12)—C(13)—H(13)	118.79 (3)
S(1)—P(1)—C(8)	114.135 (8)	P(1)—C(14)—C(15)	118.075 (15)
S(1)—P(1)—C(14)	113.674 (8)	P(1)—C(14)—C(19)	121.498 (13)
C(2)—P(1)—C(8)	106.665 (8)	C(15)—C(14)—C(19)	119.982 (18)
C(2)—P(1)—C(14)	109.597 (9)	C(14)—C(15)—C(16)	119.86 (3)
C(8)—P(1)—C(14)	97.872 (8)	C(14)—C(15)—H(15)	118.721 (18)
C(2)—C(1)—C(3)^i	119.316 (16)	C(16)—C(15)—H(15)	121.41 (3)
C(2)—C(1)—C(7)^i	122.942 (18)	C(15)—C(16)—C(17)	120.18 (4)
C(3)^i—C(1)—C(7)^i	117.678 (17)	C(15)—C(16)—H(16)	120.66 (5)
P(1)—C(2)—C(1)	121.615 (13)	C(17)—C(16)—H(16)	119.15 (4)
P(1)—C(2)—C(3)	118.218 (13)	C(16)—C(17)—C(18)	119.99 (4)
C(1)—C(2)—C(3)	120.123 (16)	C(16)—C(17)—H(17)	119.34 (4)
C(1)^i—C(3)—C(2)	120.015 (17)	C(18)—C(17)—H(17)	120.68 (4)
C(1)^i—C(3)—C(4)	117.790 (17)	C(17)—C(18)—C(19)	120.23 (4)
C(2)—C(3)—C(4)	122.140 (18)	C(17)—C(18)—H(18)	119.90 (4)
C(3)—C(4)—C(5)	121.34 (4)	C(19)—C(18)—H(18)	119.87 (4)
C(3)—C(4)—H(4)	118.386 (19)	C(14)—C(19)—C(18)	119.77 (3)
C(5)—C(4)—H(4)	120.20 (4)	C(14)—C(19)—H(19)	121.068 (16)
C(4)—C(5)—C(6)	120.24 (6)	C(18)—C(19)—H(19)	119.15 (3)
C(4)—C(5)—H(5)	119.36 (8)	C(21)—C(20)—H(20A)	107.76 (9)
C(6)—C(5)—H(5)	120.40 (8)	C(21)—C(20)—H(20B)	113.02 (8)
C(5)—C(6)—C(7)	119.66 (6)	C(21)—C(20)—H(20C)	111.39 (8)
C(5)—C(6)—H(6)	119.95 (8)	H(20A)—C(20)—H(20B)	111.26 (9)
C(7)—C(6)—H(6)	120.39 (8)	H(20A)—C(20)—H(20C)	108.98 (8)
C(1)^i—C(7)—C(6)	121.65 (4)	H(20B)—C(20)—H(20C)	104.40 (9)
C(1)^i—C(7)—H(7)	118.26 (2)	C(20)—C(21)—C(22)	120.77 (9)
C(6)—C(7)—H(7)	120.04 (4)	C(20)—C(21)—C(26)	120.78 (10)
P(1)—C(8)—C(9)	117.81 (2)	C(22)—C(21)—C(26)	118.43 (14)
P(1)—C(8)—C(13)	121.694 (13)	C(21)—C(22)—C(23)	121.13 (11)
C(9)—C(8)—C(13)	119.95 (2)	C(21)—C(22)—H(22)	119.44 (11)
C(8)—C(9)—C(10)	119.81 (4)	C(23)—C(22)—H(22)	119.40 (11)
C(8)—C(9)—H(9)	119.52 (3)	C(22)—C(23)—C(24)	119.82 (7)
C(10)—C(9)—H(9)	120.67 (4)	C(22)—C(23)—H(23)	119.22 (9)
C(9)—C(10)—C(11)	120.10 (4)	C(24)—C(23)—H(23)	120.88 (7)
C(9)—C(10)—H(10)	119.34 (5)	C(23)—C(24)—C(25)	119.56 (6)
C(11)—C(10)—H(10)	120.56 (4)	C(23)—C(24)—H(24)	118.86 (6)
C(10)—C(11)—C(12)	120.18 (4)	C(25)—C(24)—H(24)	121.55 (6)
C(10)—C(11)—H(11)	120.34 (4)	C(24)—C(25)—C(26)	120.82 (7)
C(12)—C(11)—H(11)	119.48 (4)	C(24)—C(25)—H(25)	118.07 (8)
C(11)—C(12)—C(13)	120.11 (4)	C(26)—C(25)—H(25)	121.08 (11)
C(11)—C(12)—H(12)	120.10 (4)	C(21)—C(26)—C(25)	120.24 (12)
C(13)—C(12)—H(12)	119.79 (4)	C(21)—C(26)—H(26)	119.04 (12)
C(8)—C(13)—C(12)	119.86 (3)	C(25)—C(26)—H(26)	120.72 (11)
C(8)—C(13)—H(13)	121.341 (15)

Symmetry code: (i) −x+1, −y+1, −z+2.

(SPAnPS_SHADE)

Crystal data

C38H28P2S2·2(C7H8)	F(000) = 836
Mr = 794.93	Dx = 1.272 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.7687 Å	Cell parameters from 9597 reflections
b = 14.7934 Å	θ = 2.2–30.4°
c = 13.4133 Å	µ = 0.24 mm^−1
β = 103.813°	T = 100 K
V = 2075.02 Å^3	Block, yellow
Z = 2	0.25 × 0.2 × 0.2 mm

Data collection

Bruker Smart APEX II Ultra diffractometer	17007 reflections with I > 2σ(I)
Radiation source: BRUKER Rotating Anode	Rint = 0.032
Absorption correction: multi-scan SADABS-2016/2	θmax = 52.9°, θmin = 2.1°
Tmin = 0.708, Tmax = 0.750	h = −24→24
194731 measured reflections	k = −27→33
24426 independent reflections	l = −29→29

Refinement

Refinement on F^2	682 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.027	w2 = 1/[s^2(Fo^2)]
wR(F^2) = 0.02	(Δ/σ)max = 0.081
S = 1.39	Δρmax = 0.23 e Å^−3
22130 reflections	Δρmin = −0.20 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
S(1)	0.672684 (9)	0.479358 (6)	0.729756 (6)	0.028
P(1)	0.535282 (6)	0.424664 (4)	0.781066 (5)	0.015
C(1)	0.577692 (10)	0.422224 (8)	0.998268 (9)	0.015
C(2)	0.523279 (9)	0.468621 (7)	0.905823 (9)	0.014
C(3)	0.453334 (10)	0.549308 (8)	0.907964 (9)	0.015
C(4)	0.415944 (12)	0.607085 (8)	0.820068 (10)	0.018
C(5)	0.33989 (4)	0.68065 (3)	0.82097 (4)	0.021
C(6)	0.28997 (4)	0.69888 (2)	0.90778 (4)	0.021
C(7)	0.332087 (11)	0.650065 (8)	0.995691 (11)	0.018
C(8)	0.377282 (11)	0.436448 (6)	0.694940 (8)	0.016
C(9)	0.37000 (3)	0.445659 (15)	0.590224 (19)	0.024
C(10)	0.25123 (3)	0.442702 (17)	0.52024 (2)	0.031
C(11)	0.14094 (3)	0.430263 (16)	0.55455 (2)	0.029
C(12)	0.14775 (3)	0.421517 (15)	0.65892 (2)	0.024
C(13)	0.265568 (11)	0.424715 (7)	0.729349 (8)	0.018
C(14)	0.541338 (10)	0.301819 (8)	0.785479 (8)	0.016
C(15)	0.622968 (14)	0.258118 (9)	0.735108 (10)	0.026
C(16)	0.61929 (3)	0.164236 (19)	0.72630 (2)	0.035
C(17)	0.53500 (3)	0.11455 (2)	0.767414 (18)	0.03
C(18)	0.45324 (3)	0.158074 (17)	0.817753 (19)	0.024
C(19)	0.456009 (11)	0.251551 (7)	0.827111 (9)	0.018
C(20)	0.83378 (7)	0.28711 (4)	0.55666 (4)	0.043
C(21)	0.71585 (8)	0.24162 (5)	0.49717 (4)	0.029
C(22)	0.70986 (6)	0.14786 (5)	0.48911 (3)	0.035
C(23)	0.59826 (5)	0.10464 (5)	0.43644 (3)	0.044
C(24)	0.49204 (6)	0.15550 (4)	0.39095 (3)	0.052
C(25)	0.49718 (5)	0.24803 (6)	0.39806 (3)	0.052
C(26)	0.60802 (7)	0.29192 (5)	0.45059 (4)	0.039
H(4)	0.453752	0.593119	0.753804	0.035
H(5)	0.317479	0.724452	0.754455	0.042
H(6)	0.219344	0.751596	0.904149	0.041
H(7)	0.295076	0.663596	1.062453	0.032
H(9)	0.457149	0.454181	0.564436	0.039
H(10)	0.246946	0.449651	0.439164	0.046
H(11)	0.049071	0.425387	0.500184	0.047
H(12)	0.061779	0.411008	0.685834	0.04
H(13)	0.269365	0.417237	0.810284	0.031
H(15)	0.68704	0.298707	0.702546	0.038
H(16)	0.682025	0.129897	0.686524	0.045
H(17)	0.532108	0.041767	0.759012	0.047
H(18)	0.386114	0.119464	0.849137	0.042
H(19)	0.390857	0.284769	0.865494	0.033
H(20A)	0.81595	0.35942	0.560048	0.058
H(20B)	0.915525	0.273594	0.524207	0.067
H(20C)	0.859983	0.259789	0.634314	0.057
H(22)	0.792248	0.108119	0.526422	0.056
H(23)	0.595531	0.031513	0.436427	0.055
H(24)	0.405071	0.121431	0.351901	0.051
H(25)	0.413351	0.287646	0.363847	0.048
H(26)	0.612184	0.36487	0.45658	0.048

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S(1)	0.02495 (5)	0.02913 (5)	0.03403 (5)	−0.00786 (3)	0.01445 (3)	0.00048 (3)
P(1)	0.01552 (4)	0.01516 (4)	0.01527 (4)	−0.00152 (2)	0.00436 (2)	−0.00091 (2)
C(1)	0.01535 (4)	0.01232 (4)	0.01461 (5)	0.00145 (3)	−0.00044 (3)	−0.00159 (3)
C(2)	0.01543 (4)	0.01245 (4)	0.01409 (4)	0.00083 (3)	0.00086 (3)	−0.00132 (3)
C(3)	0.01652 (5)	0.01180 (4)	0.01413 (5)	0.00095 (3)	0.00021 (3)	−0.00100 (3)
C(4)	0.02265 (5)	0.01314 (4)	0.01578 (5)	0.00122 (4)	0.00036 (3)	0.00036 (4)
C(5)	0.02520 (6)	0.01412 (5)	0.01907 (6)	0.00349 (4)	−0.00184 (4)	0.00108 (4)
C(6)	0.02232 (5)	0.01649 (5)	0.02086 (6)	0.00633 (4)	−0.00251 (4)	−0.00128 (4)
C(7)	0.01800 (5)	0.01650 (5)	0.01828 (5)	0.00471 (4)	−0.00074 (3)	−0.00247 (4)
C(8)	0.01960 (5)	0.01456 (4)	0.01287 (4)	−0.00073 (3)	0.00214 (3)	0.00015 (3)
C(9)	0.03294 (6)	0.02405 (5)	0.01360 (5)	−0.00265 (4)	0.00413 (4)	0.00218 (3)
C(10)	0.04190 (8)	0.02952 (6)	0.01512 (5)	−0.00110 (5)	−0.00410 (4)	0.00272 (4)
C(11)	0.03083 (6)	0.02415 (6)	0.02397 (6)	0.00251 (4)	−0.00978 (4)	−0.00228 (4)
C(12)	0.01899 (5)	0.02137 (5)	0.02688 (6)	0.00136 (4)	−0.00290 (4)	−0.00453 (4)
C(13)	0.01698 (5)	0.01868 (5)	0.01727 (4)	−0.00017 (3)	0.00147 (3)	−0.00189 (3)
C(14)	0.01793 (4)	0.01503 (4)	0.01547 (4)	0.00190 (3)	0.00439 (3)	−0.00177 (3)
C(15)	0.03596 (7)	0.02215 (5)	0.02599 (6)	0.01036 (5)	0.01702 (5)	0.00174 (4)
C(16)	0.05885 (10)	0.02233 (6)	0.03001 (6)	0.01775 (6)	0.02098 (6)	0.00129 (5)
C(17)	0.04955 (8)	0.01512 (5)	0.02413 (6)	0.00781 (5)	0.00358 (5)	−0.00146 (4)
C(18)	0.02723 (6)	0.01402 (4)	0.02550 (5)	−0.00044 (4)	−0.00136 (4)	0.00114 (3)
C(19)	0.01865 (5)	0.01430 (4)	0.02195 (5)	−0.00045 (3)	0.00400 (3)	−0.00046 (3)
C(20)	0.03205 (10)	0.05842 (12)	0.03990 (9)	−0.00720 (9)	0.01332 (8)	−0.01345 (8)
C(21)	0.02698 (8)	0.03898 (10)	0.02441 (7)	0.00131 (8)	0.01030 (6)	−0.00115 (6)
C(22)	0.03336 (9)	0.03914 (10)	0.03401 (8)	0.00485 (7)	0.01208 (6)	−0.00334 (6)
C(23)	0.04376 (12)	0.04907 (11)	0.04478 (10)	−0.00927 (8)	0.01978 (9)	−0.01181 (8)
C(24)	0.03339 (9)	0.07908 (19)	0.04328 (10)	−0.01421 (11)	0.00911 (8)	−0.01376 (11)
C(25)	0.03204 (9)	0.0761 (2)	0.04367 (10)	0.00771 (10)	−0.00003 (7)	0.00596 (10)
C(26)	0.03639 (10)	0.04424 (11)	0.03727 (9)	0.00628 (9)	0.00804 (7)	0.00799 (7)
H(4)	0.04576	0.031698	0.029152	0.003646	0.012379	0.002425
H(5)	0.060865	0.029013	0.033457	0.010827	0.003465	0.009889
H(6)	0.044804	0.032277	0.041998	−0.00012	−0.000013	0.018962
H(7)	0.031035	0.03442	0.03034	−0.005257	0.005027	0.005436
H(9)	0.040441	0.04579	0.031318	0.003172	0.012287	−0.003652
H(10)	0.05727	0.053607	0.021912	0.002002	0.001477	0.004437
H(11)	0.036553	0.059895	0.03447	−0.008613	−0.011275	0.005353
H(12)	0.024987	0.052687	0.040634	−0.007871	0.003285	−0.002086
H(13)	0.029616	0.039066	0.02413	0.000977	0.004201	−0.001636
H(15)	0.037084	0.039209	0.043728	−0.002676	0.018733	−0.002165
H(16)	0.04831	0.040518	0.048427	−0.009774	0.018361	0.011846
H(17)	0.066656	0.021597	0.053985	−0.004394	0.017503	0.005886
H(18)	0.056189	0.0253	0.049601	0.001745	0.022423	−0.006204
H(19)	0.036447	0.02592	0.039101	−0.001371	0.016781	0.001335
H(20A)	0.054302	0.056045	0.066773	−0.012588	0.02074	−0.003993
H(20B)	0.049383	0.096185	0.066865	−0.028353	0.035484	−0.004515
H(20C)	0.051131	0.074868	0.046032	−0.005428	0.013114	−0.003457
H(22)	0.048969	0.061289	0.056967	−0.014598	0.011225	0.014795
H(23)	0.06372	0.043829	0.05655	−0.016086	0.012407	0.007631
H(24)	0.053981	0.05058	0.045989	−0.016277	0.004409	−0.001759
H(25)	0.05355	0.049308	0.03854	−0.003386	0.005105	0.005472
H(26)	0.05788	0.043323	0.044558	−0.004103	0.017305	−0.004654

Geometric parameters (Å, º)

S(1)—P(1)	1.9504 (2)	C(14)—C(15)	1.3895 (3)
P(1)—C(2)	1.8284 (2)	C(14)—C(19)	1.3979 (3)
P(1)—C(8)	1.8224 (2)	C(15)—C(16)	1.3936 (5)
P(1)—C(14)	1.8189 (2)	C(15)—H(15)	1.0822 (2)
C(1)—C(2)	1.4160 (3)	C(16)—C(17)	1.3811 (7)
C(1)—C(3)^i	1.4393 (3)	C(16)—H(16)	1.0823 (5)
C(1)—C(7)^i	1.4341 (3)	C(17)—C(18)	1.3891 (7)
C(2)—C(3)	1.4154 (3)	C(17)—H(17)	1.0822 (5)
C(3)—C(4)	1.4339 (3)	C(18)—C(19)	1.3882 (4)
C(4)—C(5)	1.3639 (8)	C(18)—H(18)	1.0822 (5)
C(4)—H(4)	1.0822 (2)	C(19)—H(19)	1.0823 (2)
C(5)—C(6)	1.4200 (12)	C(20)—C(21)	1.490 (2)
C(5)—H(5)	1.0823 (8)	C(20)—H(20A)	1.0897 (8)
C(6)—C(7)	1.3646 (9)	C(20)—H(20B)	1.0897 (7)
C(6)—H(6)	1.0823 (8)	C(20)—H(20C)	1.0897 (7)
C(7)—H(7)	1.0822 (2)	C(21)—C(22)	1.3915 (18)
C(8)—C(9)	1.3946 (4)	C(21)—C(26)	1.3951 (16)
C(8)—C(13)	1.3984 (3)	C(22)—C(23)	1.3952 (17)
C(9)—C(10)	1.3949 (6)	C(22)—H(22)	1.0822 (12)
C(9)—H(9)	1.0823 (5)	C(23)—C(24)	1.3833 (15)
C(10)—C(11)	1.3847 (7)	C(23)—H(23)	1.0822 (11)
C(10)—H(10)	1.0822 (5)	C(24)—C(25)	1.3723 (16)
C(11)—C(12)	1.3902 (7)	C(24)—H(24)	1.0822 (12)
C(11)—H(11)	1.0822 (5)	C(25)—C(26)	1.3932 (18)
C(12)—C(13)	1.3900 (4)	C(25)—H(25)	1.0823 (11)
C(12)—H(12)	1.0822 (5)	C(26)—H(26)	1.0822 (13)
C(13)—H(13)	1.0822 (2)
S(1)—P(1)—C(2)	113.627 (8)	C(12)—C(13)—H(13)	119.21 (3)
S(1)—P(1)—C(8)	114.127 (9)	P(1)—C(14)—C(15)	118.096 (16)
S(1)—P(1)—C(14)	113.680 (9)	P(1)—C(14)—C(19)	121.507 (14)
C(2)—P(1)—C(8)	106.668 (9)	C(15)—C(14)—C(19)	119.949 (19)
C(2)—P(1)—C(14)	109.595 (9)	C(14)—C(15)—C(16)	119.76 (3)
C(8)—P(1)—C(14)	97.874 (9)	C(14)—C(15)—H(15)	118.45 (2)
C(2)—C(1)—C(3)^i	119.311 (17)	C(16)—C(15)—H(15)	121.78 (3)
C(2)—C(1)—C(7)^i	122.961 (19)	C(15)—C(16)—C(17)	120.31 (4)
C(3)^i—C(1)—C(7)^i	117.666 (18)	C(15)—C(16)—H(16)	120.07 (5)
P(1)—C(2)—C(1)	121.612 (14)	C(17)—C(16)—H(16)	119.62 (4)
P(1)—C(2)—C(3)	118.213 (14)	C(16)—C(17)—C(18)	120.04 (4)
C(1)—C(2)—C(3)	120.131 (18)	C(16)—C(17)—H(17)	119.55 (4)
C(1)^i—C(3)—C(2)	120.012 (18)	C(18)—C(17)—H(17)	120.40 (4)
C(1)^i—C(3)—C(4)	117.768 (18)	C(17)—C(18)—C(19)	120.22 (4)
C(2)—C(3)—C(4)	122.165 (19)	C(17)—C(18)—H(18)	120.28 (4)
C(3)—C(4)—C(5)	121.31 (4)	C(19)—C(18)—H(18)	119.50 (4)
C(3)—C(4)—H(4)	118.34 (2)	C(14)—C(19)—C(18)	119.72 (3)
C(5)—C(4)—H(4)	120.27 (4)	C(14)—C(19)—H(19)	120.737 (17)
C(4)—C(5)—C(6)	120.30 (7)	C(18)—C(19)—H(19)	119.53 (3)
C(4)—C(5)—H(5)	119.12 (8)	C(21)—C(20)—H(20A)	109.25 (9)
C(6)—C(5)—H(5)	120.58 (8)	C(21)—C(20)—H(20B)	111.71 (8)
C(5)—C(6)—C(7)	119.69 (7)	C(21)—C(20)—H(20C)	109.73 (8)
C(5)—C(6)—H(6)	119.96 (8)	H(20A)—C(20)—H(20B)	111.34 (9)
C(7)—C(6)—H(6)	120.35 (8)	H(20A)—C(20)—H(20C)	109.41 (8)
C(1)^i—C(7)—C(6)	121.63 (4)	H(20B)—C(20)—H(20C)	105.32 (9)
C(1)^i—C(7)—H(7)	118.00 (2)	C(20)—C(21)—C(22)	120.65 (10)
C(6)—C(7)—H(7)	120.33 (4)	C(20)—C(21)—C(26)	120.73 (11)
P(1)—C(8)—C(9)	117.86 (2)	C(22)—C(21)—C(26)	118.61 (16)
P(1)—C(8)—C(13)	121.698 (14)	C(21)—C(22)—C(23)	120.96 (12)
C(9)—C(8)—C(13)	119.91 (3)	C(21)—C(22)—H(22)	119.20 (12)
C(8)—C(9)—C(10)	119.79 (4)	C(23)—C(22)—H(22)	119.81 (12)
C(8)—C(9)—H(9)	119.26 (4)	C(22)—C(23)—C(24)	119.71 (8)
C(10)—C(9)—H(9)	120.95 (4)	C(22)—C(23)—H(23)	118.57 (10)
C(9)—C(10)—C(11)	120.12 (4)	C(24)—C(23)—H(23)	121.61 (8)
C(9)—C(10)—H(10)	119.05 (5)	C(23)—C(24)—C(25)	119.77 (6)
C(11)—C(10)—H(10)	120.82 (4)	C(23)—C(24)—H(24)	119.28 (7)
C(10)—C(11)—C(12)	120.26 (4)	C(25)—C(24)—H(24)	120.94 (7)
C(10)—C(11)—H(11)	120.23 (4)	C(24)—C(25)—C(26)	121.03 (8)
C(12)—C(11)—H(11)	119.49 (4)	C(24)—C(25)—H(25)	119.67 (9)
C(11)—C(12)—C(13)	120.09 (4)	C(26)—C(25)—H(25)	119.29 (12)
C(11)—C(12)—H(12)	120.37 (4)	C(21)—C(26)—C(25)	119.92 (13)
C(13)—C(12)—H(12)	119.53 (4)	C(21)—C(26)—H(26)	118.91 (12)
C(8)—C(13)—C(12)	119.83 (3)	C(25)—C(26)—H(26)	121.17 (12)
C(8)—C(13)—H(13)	120.952 (16)

Symmetry code: (i) −x+1, −y+1, −z+2.