Bis­(di­thio­acetato-κ²S)­bis­(tri­phenyl­phosphine-κP)­copper(I) 1.5-toluene solvate

The crystal structure of the title compound, [Cu(C₂H₃­S₂)­(C₁₈­H₁₅­P)₂]·1.5C₇H₈, is reported. The compound is monomeric with the copper metal atom assuming a distorted tetrahedral geometry.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.007 Å
• Disorder in solvent or counterion
• R factor = 0.064
• wR factor = 0.161
• Data-to-parameter ratio = 20.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_202  Alert C Isotropic non-H Atoms in Anion/Solvent       =          7

PLAT_302  Alert C Anion/Solvent Disorder .......................      33.00 Perc.


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check

---

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(I)

Crystal data

C48.50H45CuP2S2	F(000) = 1708
Mr = 817.44	Dx = 1.244 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 10.8877 (2) Å	Cell parameters from 8192 reflections
b = 24.1232 (4) Å	θ = 2.1–25.0°
c = 16.7066 (2) Å	µ = 0.70 mm^−1
β = 95.772 (1)°	T = 293 K
V = 4365.68 (12) Å^3	Blocks, cut, red
Z = 4	0.4 × 0.32 × 0.24 mm

Data collection

SMART CCD diffractometer	8735 independent reflections
Radiation source: fine-focus sealed tube	6380 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
ω scans	θmax = 26.4°, θmin = 2.1°
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 2000)	h = −13→12
Tmin = 0.751, Tmax = 0.845	k = −30→24
23356 measured reflections	l = −19→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.064	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.161	H atoms treated by a mixture of independent and constrained refinement
S = 1.10	w = 1/[σ^2(Fo^2) + (0.0566P)^2 + 4.3706P] where P = (Fo^2 + 2Fc^2)/3
8735 reflections	(Δ/σ)max < 0.001
428 parameters	Δρmax = 0.66 e Å^−3
36 restraints	Δρmin = −0.48 e Å^−3

Special details

Experimental. The diffraction experiments were carried out on a Bruker SMART CCD diffractometer with a Mo Kα sealed tube at 296 K. Preliminary cell constants were obtained from 45 frames (ω width of 0.3°). Final cell parameters were obtained by global refinements of reflections obtained from integration of all the frame data. A frame ω width of 0.3° was used and a counting time of 20 s per frame at a crystal-to-detector distance of 5.0 cm. The collected frames were integrated using the preliminary cell-orientation matrix.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cu1	0.67925 (4)	0.14402 (2)	0.36598 (3)	0.05879 (16)
S1	0.88836 (11)	0.17352 (5)	0.34836 (8)	0.0777 (3)
S2	0.78883 (11)	0.06501 (5)	0.31368 (7)	0.0726 (3)
C1	0.9054 (4)	0.10953 (18)	0.3174 (3)	0.0680 (11)
C2	1.0295 (5)	0.0914 (2)	0.2910 (4)	0.1061 (19)
H21	1.0250	0.0532	0.2750	0.159*
H22	1.0927	0.0959	0.3349	0.159*
H23	1.0488	0.1138	0.2464	0.159*
P1	0.64461 (9)	0.14692 (4)	0.49713 (6)	0.0520 (2)
P2	0.52655 (9)	0.16769 (4)	0.27037 (6)	0.0530 (2)
C1A	0.6281 (3)	0.21737 (16)	0.5358 (2)	0.0552 (9)
C2A	0.5507 (4)	0.23109 (19)	0.5945 (3)	0.0689 (11)
H2A	0.5051	0.2036	0.6170	0.083*
C3A	0.5417 (4)	0.2857 (2)	0.6192 (3)	0.0773 (13)
H3A	0.4904	0.2946	0.6586	0.093*
C4A	0.6074 (5)	0.3265 (2)	0.5865 (3)	0.0831 (14)
H4A	0.5992	0.3630	0.6027	0.100*
C5A	0.6854 (5)	0.3138 (2)	0.5297 (3)	0.0804 (13)
H5A	0.7308	0.3416	0.5079	0.096*
C6A	0.6967 (4)	0.25931 (17)	0.5047 (2)	0.0648 (10)
H6A	0.7507	0.2508	0.4668	0.078*
C1B	0.7659 (3)	0.11632 (16)	0.5675 (2)	0.0554 (9)
C2B	0.7861 (5)	0.13114 (19)	0.6478 (3)	0.0760 (12)
H2B	0.7360	0.1575	0.6688	0.091*
C3B	0.8814 (5)	0.1065 (2)	0.6971 (3)	0.0928 (16)
H3BA	0.8951	0.1170	0.7508	0.111*
C4B	0.9550 (5)	0.0673 (2)	0.6679 (3)	0.0851 (14)
H4B	1.0186	0.0512	0.7014	0.102*
C5B	0.9353 (4)	0.0518 (2)	0.5899 (3)	0.0862 (14)
H5B	0.9840	0.0243	0.5702	0.103*
C6B	0.8430 (4)	0.0766 (2)	0.5395 (3)	0.0717 (11)
H6B	0.8322	0.0664	0.4855	0.086*
C1C	0.5024 (4)	0.11279 (17)	0.5204 (2)	0.0611 (10)
C2C	0.3893 (4)	0.1343 (2)	0.4907 (3)	0.0706 (11)
H2C	0.3866	0.1671	0.4614	0.085*
C3C	0.2801 (4)	0.1080 (2)	0.5036 (3)	0.0884 (15)
H3C	0.2047	0.1233	0.4836	0.106*
C4C	0.2839 (6)	0.0592 (3)	0.5462 (5)	0.124 (2)
H4C	0.2110	0.0414	0.5556	0.148*
C5C	0.3936 (6)	0.0372 (3)	0.5742 (6)	0.157 (4)
H5C	0.3957	0.0038	0.6020	0.188*
C6C	0.5035 (5)	0.0635 (2)	0.5621 (4)	0.113 (2)
H6C	0.5783	0.0478	0.5823	0.135*
C1D	0.4325 (3)	0.10820 (16)	0.2346 (2)	0.0570 (9)
C2D	0.3975 (4)	0.07056 (19)	0.2909 (3)	0.0753 (12)
H2D	0.4245	0.0756	0.3450	0.090*
C3D	0.3231 (5)	0.0258 (2)	0.2679 (3)	0.0892 (15)
H3D	0.2993	0.0014	0.3066	0.107*
C4D	0.2844 (5)	0.0170 (2)	0.1885 (4)	0.0897 (15)
H4D	0.2353	−0.0135	0.1730	0.108*
C5D	0.3185 (5)	0.0536 (2)	0.1321 (3)	0.0928 (16)
H5D	0.2920	0.0479	0.0780	0.111*
C6D	0.3925 (4)	0.0992 (2)	0.1547 (3)	0.0768 (12)
H6D	0.4150	0.1237	0.1157	0.092*
C1E	0.4142 (3)	0.21731 (16)	0.3033 (2)	0.0517 (8)
C2E	0.2873 (4)	0.21296 (18)	0.2857 (2)	0.0657 (10)
H2E	0.2541	0.1831	0.2557	0.079*
C3E	0.2097 (4)	0.2529 (2)	0.3126 (3)	0.0798 (13)
H3E	0.1248	0.2499	0.3001	0.096*
C4E	0.2575 (5)	0.2965 (2)	0.3574 (3)	0.0802 (13)
H4E	0.2049	0.3231	0.3755	0.096*
C5E	0.3827 (5)	0.30139 (19)	0.3758 (3)	0.0779 (12)
H5E	0.4148	0.3312	0.4064	0.093*
C6E	0.4610 (4)	0.26203 (17)	0.3492 (2)	0.0658 (10)
H6E	0.5458	0.2654	0.3620	0.079*
C1F	0.5693 (3)	0.20039 (16)	0.1783 (2)	0.0553 (9)
C2F	0.6755 (4)	0.1819 (2)	0.1463 (2)	0.0739 (12)
H2F	0.7228	0.1536	0.1717	0.089*
C3F	0.7104 (4)	0.2058 (2)	0.0763 (3)	0.0842 (15)
H3F	0.7804	0.1929	0.0546	0.101*
C4F	0.6431 (5)	0.2481 (2)	0.0390 (3)	0.0840 (14)
H4F	0.6680	0.2641	−0.0073	0.101*
C5F	0.5388 (5)	0.2667 (2)	0.0701 (3)	0.0845 (14)
H5F	0.4927	0.2953	0.0448	0.101*
C6F	0.5019 (4)	0.24256 (18)	0.1397 (2)	0.0712 (11)
H6F	0.4308	0.2552	0.1604	0.085*
C1S	0.7727 (10)	0.3258 (4)	0.2430 (6)	0.1393 (14)*	0.70
H1SA	0.7862	0.2879	0.2591	0.209*	0.70
H1SB	0.8033	0.3317	0.1918	0.209*	0.70
H1SC	0.6859	0.3338	0.2389	0.209*	0.70
C2S	0.8401 (7)	0.3637 (3)	0.3051 (4)	0.1393 (14)*	0.70
C3S	0.9102 (8)	0.3398 (2)	0.3702 (5)	0.1393 (14)*	0.70
H3SA	0.9135	0.3014	0.3754	0.167*	0.70
C4S	0.9754 (7)	0.3732 (3)	0.4275 (4)	0.1393 (14)*	0.70
H4SA	1.0222	0.3571	0.4711	0.167*	0.70
C5S	0.9705 (6)	0.4305 (3)	0.4197 (4)	0.1393 (14)*	0.70
H5SA	1.0141	0.4529	0.4580	0.167*	0.70
C6S	0.9004 (7)	0.4545 (2)	0.3546 (5)	0.1393 (14)*	0.70
H6SA	0.8971	0.4928	0.3494	0.167*	0.70
C7S	0.8352 (6)	0.4211 (3)	0.2973 (4)	0.1393 (14)*	0.70
H7SA	0.7883	0.4371	0.2537	0.167*	0.70
C1T	1.019 (2)	0.4076 (9)	0.4483 (10)	0.137 (3)*	0.30
H1TA	1.0388	0.3766	0.4834	0.205*	0.30
H1TB	0.9754	0.4350	0.4760	0.205*	0.30
H1TC	1.0940	0.4234	0.4326	0.205*	0.30
C2T	0.9389 (15)	0.3881 (6)	0.3740 (8)	0.137 (3)*	0.30
C3T	0.9044 (17)	0.3328 (5)	0.3661 (9)	0.137 (3)*	0.30
H3TA	0.9287	0.3078	0.4070	0.164*	0.30
C4T	0.8335 (16)	0.3148 (5)	0.2971 (10)	0.137 (3)*	0.30
H4TA	0.8104	0.2778	0.2919	0.164*	0.30
C5T	0.7972 (14)	0.3522 (7)	0.2360 (8)	0.137 (3)*	0.30
H5TA	0.7498	0.3402	0.1898	0.164*	0.30
C6T	0.8318 (15)	0.4076 (7)	0.2439 (8)	0.137 (3)*	0.30
H6TA	0.8075	0.4326	0.2030	0.164*	0.30
C7T	0.9026 (15)	0.4255 (5)	0.3129 (9)	0.137 (3)*	0.30
H7TA	0.9257	0.4626	0.3181	0.164*	0.30
C1R	−0.158 (2)	0.0607 (13)	0.023 (2)	0.145 (5)*	0.25
H1RA	−0.1916	0.0417	0.0667	0.217*	0.25
H1RB	−0.2207	0.0641	−0.0213	0.217*	0.25
H1RC	−0.1307	0.0969	0.0407	0.217*	0.25
C2R	−0.049 (2)	0.0276 (9)	−0.0031 (14)	0.145 (5)*	0.25
C3R	−0.009 (2)	−0.0200 (11)	0.0387 (14)	0.145 (5)*	0.25
H3RA	−0.0485	−0.0316	0.0826	0.174*	0.25
C4R	0.090 (2)	−0.0501 (9)	0.0149 (17)	0.145 (5)*	0.25
H4RA	0.1165	−0.0819	0.0428	0.174*	0.25
C5R	0.1489 (19)	−0.0327 (11)	−0.0507 (16)	0.145 (5)*	0.25
H5RA	0.2150	−0.0528	−0.0666	0.174*	0.25
C6R	0.109 (2)	0.0149 (12)	−0.0924 (13)	0.145 (5)*	0.25
H6RA	0.1485	0.0266	−0.1363	0.174*	0.25
C7R	0.010 (2)	0.0451 (9)	−0.0686 (14)	0.145 (5)*	0.25
H7RA	−0.0165	0.0769	−0.0966	0.174*	0.25
C1O	−0.150 (2)	0.0276 (13)	0.0851 (18)	0.142 (4)*	0.25
H1OA	−0.1847	0.0633	0.0714	0.213*	0.25
H1OB	−0.1111	0.0283	0.1393	0.213*	0.25
H1OC	−0.2140	0.0001	0.0806	0.213*	0.25
C2O	−0.053 (2)	0.0131 (9)	0.0276 (14)	0.142 (4)*	0.25
C3O	−0.025 (2)	0.0517 (8)	−0.0294 (15)	0.142 (4)*	0.25
H3OA	−0.0628	0.0863	−0.0318	0.170*	0.25
C4O	0.061 (3)	0.0387 (9)	−0.0828 (14)	0.142 (4)*	0.25
H4OA	0.0801	0.0645	−0.1210	0.170*	0.25
C5O	0.118 (2)	−0.0130 (10)	−0.0793 (14)	0.142 (4)*	0.25
H5OA	0.1751	−0.0217	−0.1150	0.170*	0.25
C6O	0.089 (2)	−0.0516 (8)	−0.0223 (14)	0.142 (4)*	0.25
H6OA	0.1271	−0.0861	−0.0199	0.170*	0.25
C7O	0.003 (3)	−0.0385 (9)	0.0311 (14)	0.142 (4)*	0.25
H7OA	−0.0158	−0.0644	0.0693	0.170*	0.25

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1	0.0458 (3)	0.0765 (3)	0.0542 (3)	0.0054 (2)	0.00569 (19)	0.0027 (2)
S1	0.0619 (7)	0.0756 (7)	0.0976 (9)	−0.0104 (5)	0.0174 (6)	−0.0055 (6)
S2	0.0716 (7)	0.0662 (7)	0.0816 (7)	−0.0006 (5)	0.0151 (6)	−0.0050 (6)
C1	0.061 (2)	0.075 (3)	0.070 (3)	0.010 (2)	0.016 (2)	0.015 (2)
C2	0.071 (3)	0.106 (4)	0.148 (5)	0.016 (3)	0.044 (3)	0.017 (4)
P1	0.0446 (5)	0.0592 (6)	0.0523 (5)	−0.0019 (4)	0.0056 (4)	0.0014 (4)
P2	0.0459 (5)	0.0650 (6)	0.0480 (5)	0.0016 (4)	0.0036 (4)	0.0003 (4)
C1A	0.046 (2)	0.064 (2)	0.054 (2)	0.0000 (17)	−0.0019 (16)	−0.0001 (18)
C2A	0.060 (2)	0.079 (3)	0.068 (3)	−0.003 (2)	0.006 (2)	−0.009 (2)
C3A	0.065 (3)	0.089 (3)	0.077 (3)	0.006 (2)	0.004 (2)	−0.022 (3)
C4A	0.080 (3)	0.069 (3)	0.096 (4)	0.006 (3)	−0.011 (3)	−0.019 (3)
C5A	0.086 (3)	0.067 (3)	0.085 (3)	−0.015 (2)	−0.002 (3)	0.001 (2)
C6A	0.058 (2)	0.068 (3)	0.067 (3)	−0.009 (2)	0.0021 (19)	0.000 (2)
C1B	0.053 (2)	0.056 (2)	0.057 (2)	−0.0054 (17)	0.0033 (17)	0.0056 (18)
C2B	0.092 (3)	0.068 (3)	0.065 (3)	0.014 (2)	−0.007 (2)	−0.004 (2)
C3B	0.119 (4)	0.086 (4)	0.067 (3)	0.006 (3)	−0.026 (3)	−0.005 (3)
C4B	0.079 (3)	0.082 (3)	0.089 (3)	0.006 (3)	−0.019 (3)	0.010 (3)
C5B	0.069 (3)	0.105 (4)	0.085 (3)	0.024 (3)	0.006 (2)	0.009 (3)
C6B	0.065 (3)	0.092 (3)	0.058 (2)	0.013 (2)	0.0032 (19)	0.001 (2)
C1C	0.058 (2)	0.063 (2)	0.065 (2)	−0.0068 (19)	0.0160 (19)	−0.0052 (19)
C2C	0.056 (2)	0.086 (3)	0.071 (3)	−0.013 (2)	0.007 (2)	−0.001 (2)
C3C	0.056 (3)	0.102 (4)	0.110 (4)	−0.011 (3)	0.019 (3)	−0.018 (3)
C4C	0.074 (4)	0.088 (4)	0.219 (8)	−0.024 (3)	0.063 (4)	−0.010 (4)
C5C	0.090 (5)	0.093 (5)	0.299 (11)	−0.005 (4)	0.073 (6)	0.061 (6)
C6C	0.067 (3)	0.086 (4)	0.191 (6)	0.004 (3)	0.039 (4)	0.045 (4)
C1D	0.049 (2)	0.060 (2)	0.061 (2)	0.0045 (17)	0.0029 (17)	−0.0013 (18)
C2D	0.081 (3)	0.074 (3)	0.071 (3)	−0.008 (2)	0.006 (2)	0.004 (2)
C3D	0.089 (4)	0.079 (3)	0.100 (4)	−0.015 (3)	0.014 (3)	0.011 (3)
C4D	0.086 (3)	0.065 (3)	0.114 (4)	−0.009 (3)	−0.009 (3)	−0.010 (3)
C5D	0.104 (4)	0.084 (4)	0.085 (3)	−0.007 (3)	−0.021 (3)	−0.012 (3)
C6D	0.087 (3)	0.073 (3)	0.068 (3)	−0.009 (2)	−0.007 (2)	−0.002 (2)
C1E	0.052 (2)	0.061 (2)	0.0426 (18)	0.0002 (17)	0.0069 (15)	0.0037 (16)
C2E	0.052 (2)	0.080 (3)	0.066 (2)	−0.001 (2)	0.0114 (19)	−0.005 (2)
C3E	0.056 (3)	0.106 (4)	0.079 (3)	0.010 (2)	0.018 (2)	−0.003 (3)
C4E	0.090 (4)	0.086 (3)	0.069 (3)	0.023 (3)	0.030 (3)	0.002 (2)
C5E	0.094 (4)	0.070 (3)	0.071 (3)	0.004 (3)	0.011 (2)	−0.008 (2)
C6E	0.068 (3)	0.069 (3)	0.059 (2)	0.003 (2)	0.0013 (19)	0.001 (2)
C1F	0.051 (2)	0.067 (2)	0.0475 (19)	−0.0066 (18)	0.0049 (16)	−0.0016 (17)
C2F	0.057 (2)	0.109 (4)	0.056 (2)	0.009 (2)	0.0073 (19)	−0.002 (2)
C3F	0.061 (3)	0.133 (5)	0.062 (3)	−0.006 (3)	0.022 (2)	−0.011 (3)
C4F	0.100 (4)	0.094 (4)	0.062 (3)	−0.022 (3)	0.025 (3)	0.000 (3)
C5F	0.105 (4)	0.081 (3)	0.070 (3)	0.003 (3)	0.022 (3)	0.013 (2)
C6F	0.078 (3)	0.076 (3)	0.062 (2)	0.006 (2)	0.023 (2)	0.012 (2)

Geometric parameters (Å, º)

Cu1—P2	2.2600 (10)	C2E—C3E	1.386 (6)
Cu1—P1	2.2614 (10)	C3E—C4E	1.364 (7)
Cu1—S1	2.4314 (12)	C4E—C5E	1.372 (7)
Cu1—S2	2.4556 (12)	C5E—C6E	1.380 (6)
S1—C1	1.645 (5)	C1F—C6F	1.376 (6)
S2—C1	1.659 (5)	C1F—C2F	1.396 (5)
C1—C2	1.527 (6)	C2F—C3F	1.390 (6)
P1—C1C	1.830 (4)	C3F—C4F	1.370 (7)
P1—C1B	1.833 (4)	C4F—C5F	1.371 (7)
P1—C1A	1.834 (4)	C5F—C6F	1.396 (6)
P2—C1D	1.828 (4)	C1S—C2S	1.516 (7)
P2—C1F	1.829 (4)	C2S—C3S	1.3900
P2—C1E	1.835 (4)	C2S—C7S	1.3900
C1A—C6A	1.389 (5)	C3S—C4S	1.3900
C1A—C2A	1.395 (5)	C4S—C5S	1.3900
C2A—C3A	1.387 (6)	C5S—C6S	1.3900
C3A—C4A	1.362 (7)	C6S—C7S	1.3900
C4A—C5A	1.370 (7)	C1T—C2T	1.519 (8)
C5A—C6A	1.388 (6)	C2T—C3T	1.3900
C1B—C2B	1.384 (5)	C2T—C7T	1.3900
C1B—C6B	1.386 (6)	C3T—C4T	1.3900
C2B—C3B	1.392 (6)	C4T—C5T	1.3900
C3B—C4B	1.361 (7)	C5T—C6T	1.3900
C4B—C5B	1.352 (7)	C6T—C7T	1.3900
C5B—C6B	1.381 (6)	C1R—C2R	1.532 (8)
C1C—C6C	1.378 (6)	C2R—C3R	1.3900
C1C—C2C	1.381 (6)	C2R—C7R	1.3900
C2C—C3C	1.384 (6)	C3R—C4R	1.3900
C3C—C4C	1.374 (8)	C4R—C5R	1.3900
C4C—C5C	1.348 (9)	C5R—C6R	1.3900
C5C—C6C	1.387 (7)	C6R—C7R	1.3900
C1D—C6D	1.380 (6)	C1O—C2O	1.532 (8)
C1D—C2D	1.388 (6)	C2O—C3O	1.3900
C2D—C3D	1.381 (6)	C2O—C7O	1.3900
C3D—C4D	1.367 (7)	C3O—C4O	1.3900
C4D—C5D	1.369 (7)	C4O—C5O	1.3900
C5D—C6D	1.394 (7)	C5O—C6O	1.3900
C1E—C2E	1.387 (5)	C6O—C7O	1.3900
C1E—C6E	1.391 (5)
P2—Cu1—P1	119.64 (4)	C3D—C4D—C5D	119.3 (5)
P2—Cu1—S1	118.14 (5)	C4D—C5D—C6D	120.8 (5)
P1—Cu1—S1	110.96 (4)	C1D—C6D—C5D	120.3 (5)
P2—Cu1—S2	107.09 (4)	C2E—C1E—C6E	118.5 (4)
P1—Cu1—S2	120.21 (4)	C2E—C1E—P2	124.6 (3)
S1—Cu1—S2	71.92 (4)	C6E—C1E—P2	116.9 (3)
C1—S1—Cu1	84.26 (15)	C3E—C2E—C1E	120.4 (4)
C1—S2—Cu1	83.19 (15)	C4E—C3E—C2E	120.2 (4)
C2—C1—S1	119.4 (4)	C3E—C4E—C5E	120.3 (4)
C2—C1—S2	120.0 (4)	C4E—C5E—C6E	120.1 (5)
S1—C1—S2	120.6 (2)	C5E—C6E—C1E	120.5 (4)
C1C—P1—C1B	104.66 (18)	C6F—C1F—C2F	118.7 (4)
C1C—P1—C1A	103.12 (18)	C6F—C1F—P2	123.0 (3)
C1B—P1—C1A	103.70 (17)	C2F—C1F—P2	118.4 (3)
C1C—P1—Cu1	114.78 (13)	C3F—C2F—C1F	119.8 (4)
C1B—P1—Cu1	115.43 (13)	C4F—C3F—C2F	120.8 (4)
C1A—P1—Cu1	113.72 (13)	C3F—C4F—C5F	119.8 (4)
C1D—P2—C1F	104.21 (17)	C4F—C5F—C6F	119.8 (5)
C1D—P2—C1E	103.99 (17)	C1F—C6F—C5F	121.0 (4)
C1F—P2—C1E	101.77 (17)	C3S—C2S—C7S	120.0
C1D—P2—Cu1	112.36 (13)	C3S—C2S—C1S	118.3 (5)
C1F—P2—Cu1	118.15 (12)	C7S—C2S—C1S	121.7 (5)
C1E—P2—Cu1	114.74 (12)	C2S—C3S—C4S	120.0
C6A—C1A—C2A	118.4 (4)	C5S—C4S—C3S	120.0
C6A—C1A—P1	117.9 (3)	C4S—C5S—C6S	120.0
C2A—C1A—P1	123.7 (3)	C5S—C6S—C7S	120.0
C3A—C2A—C1A	120.0 (4)	C6S—C7S—C2S	120.0
C4A—C3A—C2A	120.7 (4)	C3T—C2T—C7T	120.0
C3A—C4A—C5A	120.2 (5)	C3T—C2T—C1T	120.1 (7)
C4A—C5A—C6A	120.0 (5)	C7T—C2T—C1T	119.9 (7)
C5A—C6A—C1A	120.7 (4)	C2T—C3T—C4T	120.0
C2B—C1B—C6B	117.6 (4)	C5T—C4T—C3T	120.0
C2B—C1B—P1	123.5 (3)	C4T—C5T—C6T	120.0
C6B—C1B—P1	118.9 (3)	C7T—C6T—C5T	120.0
C1B—C2B—C3B	120.0 (4)	C6T—C7T—C2T	120.0
C4B—C3B—C2B	121.0 (5)	C3R—C2R—C7R	120.0
C5B—C4B—C3B	119.7 (4)	C3R—C2R—C1R	119.9 (8)
C4B—C5B—C6B	120.3 (5)	C7R—C2R—C1R	120.1 (7)
C5B—C6B—C1B	121.4 (4)	C2R—C3R—C4R	120.0
C6C—C1C—C2C	117.9 (4)	C3R—C4R—C5R	120.0
C6C—C1C—P1	122.1 (3)	C6R—C5R—C4R	120.0
C2C—C1C—P1	119.8 (3)	C7R—C6R—C5R	120.0
C1C—C2C—C3C	121.4 (5)	C6R—C7R—C2R	120.0
C4C—C3C—C2C	119.4 (5)	C3O—C2O—C7O	120.0
C5C—C4C—C3C	119.8 (5)	C3O—C2O—C1O	119.5 (8)
C4C—C5C—C6C	121.1 (6)	C7O—C2O—C1O	120.5 (8)
C1C—C6C—C5C	120.3 (5)	C2O—C3O—C4O	120.0
C6D—C1D—C2D	118.1 (4)	C3O—C4O—C5O	120.0
C6D—C1D—P2	123.5 (3)	C6O—C5O—C4O	120.0
C2D—C1D—P2	118.4 (3)	C7O—C6O—C5O	120.0
C3D—C2D—C1D	121.1 (4)	C6O—C7O—C2O	120.0
C4D—C3D—C2D	120.4 (5)