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In the mononuclear mixed-ligand title complex, [AgCl(C7H7NS)(C18H15P)2], the AgI ion is four coordinated by one S atom of a benzene­carbo­thio­amide ligand, two P atoms of two tri­phenyl­phosphane ligands and one chloride ion, displaying a distorted tetra­hedral coordination geometry. In the crystal, pairs of N—H...Cl hydrogen bonds form inversion dimers. An intra­molecular N—H...Cl hydrogen bond is also observed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536814015992/lh5718sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536814015992/lh5718Isup2.hkl
Contains datablock I

CCDC reference: 1012936

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.033
  • wR factor = 0.075
  • Data-to-parameter ratio = 21.1

checkCIF/PLATON results

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Alert level C PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.988 Check
Alert level G PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ag1 -- Cl1 .. 19.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ag1 -- S1 .. 14.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Ag1 -- P1 .. 9.0 su PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 7 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Experimental top

Tri­phenyl­phosphine, (0.37 g, 0.14 mmol) was dissolved in 30 cm3 of aceto­nitrile at 343 K. AgCl (0.10 g, 0.70 mmol) was added and then the mixture was stirred for 3 hours. At that time, a white precipitate was deposited and then benzene­carbo­thio­amide (0.09 g, 0.70 mmol) was added. The new reaction mixture was continually heated under refluxed for 5 hours. The resulting clear solution was filtered and the filtrate was kept to evaporate at room temperature. X-ray quality crystals were obtained after two days and were filtered and dried in vacuo.

Refinement top

All H atoms were positioned geometrically and refined using a riding-model, approximation with C—H = 0.93 with Uiso(H) = 1.2 Ueq(C), N—H = 0.86 with Uiso(H) = 1.2 Ueq(N).

Results and discussion top

The coordination compounds of AgI complexes with phosphine and thione ligands have gained inter­est in recent years because of their participation in biological process as anti­bacterial agents (Isab et al., 2010; Nawaz et al., 2011). A large number of crystal structures of AgI complexes containing phosphine and thione as ligands have presented that these complexes are either mononuclear (McFarlane et al., 1998) or dinuclear (Cox et al., 2000) complexes with the silver(I) center exhibiting distorted tetra­hedral or trigonal coordination geometry (Aslanidis et al., 1997).

The molecular structure of the title mononuclear complex displays a distorted tetra­hedral coordination geometry (Fig. 1). The deviation from ideal tetra­hedral geometry can be described by the P2—Ag1—P1 angle which has value of 120.05 (2)° and this value is much larger than the perfect tetra­hedral value of 109.5°. This distortion may be due to the steric imposition induced by the two bulky tri­phenyl­phosphine ligands. This has also been observed in previous reports e.g. the P2—Cu1—P1 angle in [CuI(C7H8N2S)(C18H15P)2] is 118.63 (5)° (Nimthong et al., 2008). The Ag1—S1 bond distance in the title complex 2.5880 (5) Å lies in the range of other AgI complexes such as the Ag—S bond in [Ag(C7H4NS2O2)(C18H15P)3] of 2.5939 (10) Å (Dennehy et al., 2007). In the crystal, pairs of N—H···Cl hydrogen bonds form inversion dimers. An intra­molecular N—H···Cl hydrogen bond is also observed (Fig. 2).

Related literature top

For relevant examples of structures of AgI complexes, see: Aslanidis et al. (1997); McFarlane et al. (1998); Cox et al. (2000); Dennehy et al. (2007); Nimthong et al. (2008). For potential applications of related complexes, see: Isab et al. (2010); Nawaz et al. (2011).

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008), SHELXLE (Hübschle et al., 2011); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010).

Figures top
[Figure 1] Fig. 1. The molecular structure with displacement ellipsoids drawn at the 50% probability level and H atoms are omitted for clarity.
[Figure 2] Fig. 2. Part of the crystal structure showing the intermolecular and intramolecular hydrogen bonds as dashed lines are drawn between the non-hydrogen atoms. The symmetry related molecule is generated by the operator (-x+2, -y, -z).
(Benzenecarbothioamide-κS)chloridobis(triphenylphosphane-κP)silver(I) top
Crystal data top
[AgCl(C7H7NS)(C18H15P)2]F(000) = 1648
Mr = 805.05Dx = 1.430 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 14.2405 (7) ÅCell parameters from 7876 reflections
b = 13.9271 (7) Åθ = 2.4–28.3°
c = 19.0774 (10) ŵ = 0.78 mm1
β = 98.711 (1)°T = 293 K
V = 3740.0 (3) Å3Block, colorless
Z = 40.30 × 0.16 × 0.10 mm
Data collection top
Bruker SMART APEX CCD
diffractometer
8544 reflections with I > 2σ(I)
Radiation source: sealed tubeRint = 0.031
ϕ and ω scansθmax = 28.3°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
h = 1918
Tmin = 0.861, Tmax = 0.923k = 1818
51284 measured reflectionsl = 2525
9308 independent reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.033H-atom parameters constrained
wR(F2) = 0.075 w = 1/[σ2(Fo2) + (0.0351P)2 + 1.9067P]
where P = (Fo2 + 2Fc2)/3
S = 1.13(Δ/σ)max = 0.001
9308 reflectionsΔρmax = 0.72 e Å3
442 parametersΔρmin = 0.39 e Å3
Crystal data top
[AgCl(C7H7NS)(C18H15P)2]V = 3740.0 (3) Å3
Mr = 805.05Z = 4
Monoclinic, P21/nMo Kα radiation
a = 14.2405 (7) ŵ = 0.78 mm1
b = 13.9271 (7) ÅT = 293 K
c = 19.0774 (10) Å0.30 × 0.16 × 0.10 mm
β = 98.711 (1)°
Data collection top
Bruker SMART APEX CCD
diffractometer
9308 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2003)
8544 reflections with I > 2σ(I)
Tmin = 0.861, Tmax = 0.923Rint = 0.031
51284 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0330 restraints
wR(F2) = 0.075H-atom parameters constrained
S = 1.13Δρmax = 0.72 e Å3
9308 reflectionsΔρmin = 0.39 e Å3
442 parameters
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.96337 (2)0.11780 (2)0.18826 (2)0.01933 (5)
Cl11.07616 (3)0.00745 (4)0.12713 (2)0.02523 (10)
S10.79118 (3)0.07930 (4)0.13044 (2)0.02617 (11)
P11.02572 (3)0.27274 (3)0.15422 (2)0.01705 (9)
P20.98356 (3)0.07020 (3)0.31343 (2)0.01641 (9)
N10.86973 (12)0.00117 (13)0.02851 (9)0.0257 (4)
H1A0.86780.02420.01350.031*
H1B0.92210.00180.05760.031*
C11.02873 (12)0.29144 (13)0.05997 (9)0.0187 (3)
C21.05820 (14)0.37795 (14)0.03329 (10)0.0236 (4)
H21.07720.42850.06400.028*
C31.05912 (15)0.38854 (15)0.03897 (11)0.0268 (4)
H31.07910.44600.05660.032*
C41.03040 (16)0.31370 (16)0.08444 (11)0.0296 (4)
H41.03120.32100.13280.036*
C51.00051 (17)0.22818 (16)0.05892 (11)0.0324 (5)
H50.98100.17810.08990.039*
C60.99972 (15)0.21714 (14)0.01362 (10)0.0258 (4)
H60.97960.15950.03090.031*
C71.14768 (13)0.29086 (13)0.19631 (10)0.0200 (4)
C81.16664 (14)0.30735 (15)0.26924 (10)0.0263 (4)
H81.11660.31230.29520.032*
C91.25915 (16)0.31638 (17)0.30335 (12)0.0352 (5)
H91.27110.32890.35180.042*
C101.33373 (16)0.30669 (18)0.26532 (13)0.0374 (5)
H101.39600.31290.28810.045*
C111.31608 (15)0.28778 (18)0.19375 (13)0.0377 (5)
H111.36650.28000.16850.045*
C121.22346 (14)0.28022 (16)0.15898 (11)0.0286 (4)
H121.21210.26800.11050.034*
C130.96006 (13)0.37748 (13)0.17718 (10)0.0197 (4)
C140.86150 (15)0.37148 (15)0.16127 (13)0.0305 (5)
H140.83350.31570.14110.037*
C150.80496 (16)0.44786 (18)0.17519 (14)0.0390 (6)
H150.73930.44380.16320.047*
C160.84564 (17)0.53014 (17)0.20690 (12)0.0348 (5)
H160.80750.58110.21660.042*
C170.94290 (16)0.53631 (15)0.22403 (10)0.0286 (4)
H170.97020.59130.24600.034*
C181.00066 (14)0.46105 (14)0.20872 (10)0.0223 (4)
H181.06640.46640.21950.027*
C191.10059 (13)0.08806 (13)0.36558 (10)0.0193 (4)
C201.11456 (15)0.12565 (17)0.43381 (11)0.0319 (5)
H201.06250.14390.45480.038*
C211.20579 (16)0.13612 (19)0.47091 (13)0.0386 (5)
H211.21440.16110.51670.046*
C221.28319 (15)0.10983 (17)0.44038 (13)0.0358 (5)
H221.34420.11640.46540.043*
C231.26999 (16)0.07346 (19)0.37215 (14)0.0385 (5)
H231.32240.05630.35110.046*
C241.17911 (14)0.06228 (16)0.33477 (12)0.0297 (4)
H241.17090.03750.28900.036*
C250.90286 (13)0.13427 (14)0.36321 (10)0.0201 (4)
C260.86802 (14)0.09695 (16)0.42206 (11)0.0272 (4)
H260.88560.03550.43800.033*
C270.80725 (15)0.15072 (19)0.45705 (12)0.0362 (5)
H270.78380.12490.49590.043*
C280.78167 (16)0.2422 (2)0.43432 (13)0.0413 (6)
H280.74130.27810.45800.050*
C290.81590 (16)0.28085 (17)0.37632 (14)0.0381 (5)
H290.79900.34290.36130.046*
C300.87564 (14)0.22677 (15)0.34051 (11)0.0280 (4)
H300.89770.25250.30110.034*
C310.96144 (13)0.05724 (13)0.32671 (9)0.0185 (3)
C320.91259 (14)0.10887 (14)0.26999 (11)0.0246 (4)
H320.89380.07850.22670.030*
C330.89178 (15)0.20533 (15)0.27774 (12)0.0297 (4)
H330.85870.23910.23980.036*
C340.92006 (16)0.25143 (15)0.34174 (12)0.0295 (4)
H340.90520.31580.34710.035*
C350.97056 (16)0.20123 (15)0.39764 (11)0.0288 (4)
H350.99070.23230.44040.035*
C360.99138 (14)0.10483 (14)0.39031 (10)0.0243 (4)
H361.02560.07170.42820.029*
C370.79299 (13)0.03483 (13)0.04814 (9)0.0200 (4)
C380.70443 (14)0.03396 (14)0.00449 (9)0.0219 (4)
C390.69078 (16)0.03464 (16)0.05811 (11)0.0307 (5)
H390.73790.07970.06200.037*
C400.60665 (17)0.03594 (18)0.10586 (12)0.0379 (5)
H400.59770.08200.14150.045*
C410.53653 (16)0.03057 (19)0.10061 (12)0.0386 (5)
H410.48000.02890.13230.046*
C420.55038 (18)0.0996 (2)0.04827 (13)0.0444 (6)
H420.50350.14510.04500.053*
C430.63401 (16)0.10130 (18)0.00047 (12)0.0348 (5)
H430.64290.14820.03460.042*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.02407 (8)0.01923 (7)0.01454 (7)0.00135 (5)0.00242 (5)0.00012 (5)
Cl10.0264 (2)0.0283 (2)0.0204 (2)0.00856 (19)0.00159 (17)0.00369 (18)
S10.0203 (2)0.0411 (3)0.0165 (2)0.0002 (2)0.00093 (17)0.0062 (2)
P10.0174 (2)0.0171 (2)0.0162 (2)0.00025 (17)0.00140 (16)0.00061 (16)
P20.0171 (2)0.0186 (2)0.0133 (2)0.00141 (17)0.00131 (16)0.00025 (16)
N10.0225 (8)0.0345 (9)0.0191 (8)0.0021 (7)0.0006 (6)0.0072 (7)
C10.0167 (8)0.0210 (9)0.0179 (8)0.0013 (7)0.0012 (6)0.0017 (7)
C20.0261 (10)0.0208 (9)0.0237 (9)0.0039 (7)0.0035 (7)0.0005 (7)
C30.0301 (10)0.0256 (10)0.0261 (10)0.0010 (8)0.0083 (8)0.0060 (8)
C40.0378 (12)0.0331 (11)0.0185 (9)0.0057 (9)0.0058 (8)0.0053 (8)
C50.0494 (14)0.0257 (10)0.0201 (9)0.0008 (9)0.0013 (9)0.0028 (8)
C60.0353 (11)0.0210 (9)0.0199 (9)0.0015 (8)0.0000 (8)0.0034 (7)
C70.0192 (8)0.0178 (8)0.0220 (9)0.0003 (7)0.0000 (7)0.0005 (7)
C80.0250 (10)0.0304 (10)0.0226 (9)0.0018 (8)0.0007 (8)0.0007 (8)
C90.0344 (12)0.0376 (12)0.0295 (11)0.0001 (10)0.0083 (9)0.0021 (9)
C100.0222 (10)0.0395 (13)0.0463 (13)0.0031 (9)0.0088 (9)0.0019 (10)
C110.0198 (10)0.0463 (14)0.0478 (14)0.0014 (9)0.0072 (9)0.0036 (11)
C120.0241 (10)0.0350 (11)0.0265 (10)0.0017 (8)0.0036 (8)0.0010 (8)
C130.0207 (9)0.0209 (9)0.0183 (8)0.0029 (7)0.0052 (7)0.0039 (7)
C140.0216 (10)0.0261 (10)0.0439 (13)0.0003 (8)0.0050 (9)0.0054 (9)
C150.0228 (10)0.0388 (13)0.0580 (15)0.0107 (9)0.0139 (10)0.0135 (11)
C160.0421 (13)0.0315 (11)0.0346 (11)0.0170 (10)0.0180 (10)0.0103 (9)
C170.0449 (12)0.0240 (10)0.0170 (9)0.0079 (9)0.0050 (8)0.0014 (7)
C180.0265 (9)0.0214 (9)0.0187 (8)0.0022 (7)0.0019 (7)0.0017 (7)
C190.0175 (8)0.0193 (8)0.0200 (8)0.0007 (7)0.0007 (7)0.0022 (7)
C200.0225 (10)0.0473 (13)0.0255 (10)0.0013 (9)0.0019 (8)0.0068 (9)
C210.0291 (11)0.0536 (15)0.0298 (11)0.0051 (10)0.0064 (9)0.0102 (10)
C220.0199 (10)0.0411 (13)0.0429 (13)0.0012 (9)0.0070 (9)0.0014 (10)
C230.0201 (10)0.0462 (14)0.0494 (14)0.0062 (9)0.0065 (9)0.0019 (11)
C240.0239 (10)0.0342 (11)0.0308 (11)0.0024 (8)0.0037 (8)0.0061 (9)
C250.0151 (8)0.0247 (9)0.0196 (8)0.0004 (7)0.0001 (7)0.0053 (7)
C260.0212 (9)0.0377 (12)0.0229 (9)0.0005 (8)0.0041 (7)0.0030 (8)
C270.0250 (11)0.0556 (15)0.0297 (11)0.0022 (10)0.0096 (9)0.0119 (10)
C280.0259 (11)0.0541 (16)0.0441 (14)0.0043 (10)0.0062 (10)0.0252 (12)
C290.0311 (11)0.0312 (12)0.0499 (14)0.0070 (9)0.0004 (10)0.0121 (10)
C300.0256 (10)0.0264 (10)0.0307 (10)0.0014 (8)0.0001 (8)0.0041 (8)
C310.0173 (8)0.0197 (9)0.0194 (8)0.0008 (7)0.0060 (7)0.0005 (7)
C320.0263 (10)0.0244 (10)0.0220 (9)0.0008 (8)0.0003 (8)0.0021 (7)
C330.0325 (11)0.0233 (10)0.0327 (11)0.0047 (8)0.0029 (9)0.0080 (8)
C340.0345 (11)0.0193 (9)0.0384 (11)0.0029 (8)0.0170 (9)0.0016 (8)
C350.0393 (12)0.0250 (10)0.0245 (10)0.0002 (9)0.0123 (9)0.0053 (8)
C360.0292 (10)0.0254 (10)0.0186 (9)0.0019 (8)0.0049 (8)0.0005 (7)
C370.0227 (9)0.0198 (9)0.0172 (8)0.0031 (7)0.0017 (7)0.0003 (7)
C380.0231 (9)0.0255 (9)0.0162 (8)0.0035 (7)0.0003 (7)0.0003 (7)
C390.0307 (11)0.0296 (11)0.0292 (10)0.0013 (9)0.0034 (8)0.0070 (9)
C400.0370 (12)0.0416 (13)0.0309 (11)0.0022 (10)0.0080 (9)0.0118 (10)
C410.0292 (11)0.0586 (16)0.0242 (10)0.0023 (11)0.0082 (9)0.0049 (10)
C420.0349 (13)0.0619 (17)0.0326 (12)0.0199 (12)0.0072 (10)0.0099 (11)
C430.0336 (12)0.0441 (13)0.0239 (10)0.0105 (10)0.0042 (9)0.0115 (9)
Geometric parameters (Å, º) top
Ag1—P22.4529 (5)C18—H180.9300
Ag1—P12.4578 (5)C19—C241.387 (3)
Ag1—S12.5880 (5)C19—C201.389 (3)
Ag1—Cl12.6208 (5)C20—C211.390 (3)
S1—C371.6918 (19)C20—H200.9300
P1—C71.8173 (19)C21—C221.372 (3)
P1—C131.8216 (19)C21—H210.9300
P1—C11.8238 (18)C22—C231.383 (3)
P2—C191.8240 (18)C22—H220.9300
P2—C311.8269 (19)C23—C241.389 (3)
P2—C251.8300 (19)C23—H230.9300
N1—C371.308 (2)C24—H240.9300
N1—H1A0.8600C25—C261.395 (3)
N1—H1B0.8600C25—C301.395 (3)
C1—C61.383 (3)C26—C271.389 (3)
C1—C21.397 (3)C26—H260.9300
C2—C31.388 (3)C27—C281.377 (4)
C2—H20.9300C27—H270.9300
C3—C41.378 (3)C28—C291.384 (4)
C3—H30.9300C28—H280.9300
C4—C51.378 (3)C29—C301.391 (3)
C4—H40.9300C29—H290.9300
C5—C61.394 (3)C30—H300.9300
C5—H50.9300C31—C361.392 (3)
C6—H60.9300C31—C321.394 (3)
C7—C121.388 (3)C32—C331.388 (3)
C7—C81.396 (3)C32—H320.9300
C8—C91.384 (3)C33—C341.384 (3)
C8—H80.9300C33—H330.9300
C9—C101.381 (3)C34—C351.382 (3)
C9—H90.9300C34—H340.9300
C10—C111.376 (3)C35—C361.386 (3)
C10—H100.9300C35—H350.9300
C11—C121.388 (3)C36—H360.9300
C11—H110.9300C37—C381.488 (2)
C12—H120.9300C38—C431.384 (3)
C13—C141.393 (3)C38—C391.392 (3)
C13—C181.395 (3)C39—C401.391 (3)
C14—C151.384 (3)C39—H390.9300
C14—H140.9300C40—C411.377 (3)
C15—C161.381 (4)C40—H400.9300
C15—H150.9300C41—C421.378 (3)
C16—C171.377 (3)C41—H410.9300
C16—H160.9300C42—C431.386 (3)
C17—C181.390 (3)C42—H420.9300
C17—H170.9300C43—H430.9300
P2—Ag1—P1120.053 (16)C24—C19—C20118.98 (18)
P2—Ag1—S1108.823 (16)C24—C19—P2117.53 (15)
P1—Ag1—S1115.223 (17)C20—C19—P2123.49 (15)
P2—Ag1—Cl1106.579 (16)C19—C20—C21120.5 (2)
P1—Ag1—Cl197.298 (16)C19—C20—H20119.8
S1—Ag1—Cl1107.087 (16)C21—C20—H20119.8
C37—S1—Ag1108.95 (7)C22—C21—C20120.3 (2)
C7—P1—C13105.87 (9)C22—C21—H21119.8
C7—P1—C1104.61 (8)C20—C21—H21119.8
C13—P1—C1102.26 (8)C21—C22—C23119.6 (2)
C7—P1—Ag1111.37 (6)C21—C22—H22120.2
C13—P1—Ag1114.86 (6)C23—C22—H22120.2
C1—P1—Ag1116.70 (6)C22—C23—C24120.5 (2)
C19—P2—C31102.67 (8)C22—C23—H23119.7
C19—P2—C25104.13 (8)C24—C23—H23119.7
C31—P2—C25105.47 (9)C19—C24—C23120.1 (2)
C19—P2—Ag1117.18 (6)C19—C24—H24119.9
C31—P2—Ag1113.60 (6)C23—C24—H24119.9
C25—P2—Ag1112.53 (6)C26—C25—C30118.54 (18)
C37—N1—H1A120.0C26—C25—P2124.32 (15)
C37—N1—H1B120.0C30—C25—P2117.13 (15)
H1A—N1—H1B120.0C27—C26—C25120.6 (2)
C6—C1—C2119.31 (17)C27—C26—H26119.7
C6—C1—P1118.31 (14)C25—C26—H26119.7
C2—C1—P1122.38 (14)C28—C27—C26120.1 (2)
C3—C2—C1120.12 (18)C28—C27—H27119.9
C3—C2—H2119.9C26—C27—H27119.9
C1—C2—H2119.9C27—C28—C29120.2 (2)
C4—C3—C2119.88 (18)C27—C28—H28119.9
C4—C3—H3120.1C29—C28—H28119.9
C2—C3—H3120.1C28—C29—C30119.9 (2)
C3—C4—C5120.62 (19)C28—C29—H29120.1
C3—C4—H4119.7C30—C29—H29120.1
C5—C4—H4119.7C29—C30—C25120.6 (2)
C4—C5—C6119.69 (19)C29—C30—H30119.7
C4—C5—H5120.2C25—C30—H30119.7
C6—C5—H5120.2C36—C31—C32118.82 (17)
C1—C6—C5120.38 (19)C36—C31—P2123.17 (14)
C1—C6—H6119.8C32—C31—P2118.01 (14)
C5—C6—H6119.8C33—C32—C31120.38 (19)
C12—C7—C8118.76 (18)C33—C32—H32119.8
C12—C7—P1121.58 (15)C31—C32—H32119.8
C8—C7—P1119.41 (15)C34—C33—C32120.30 (19)
C9—C8—C7120.7 (2)C34—C33—H33119.9
C9—C8—H8119.7C32—C33—H33119.9
C7—C8—H8119.7C35—C34—C33119.59 (19)
C10—C9—C8119.8 (2)C35—C34—H34120.2
C10—C9—H9120.1C33—C34—H34120.2
C8—C9—H9120.1C34—C35—C36120.40 (19)
C11—C10—C9120.0 (2)C34—C35—H35119.8
C11—C10—H10120.0C36—C35—H35119.8
C9—C10—H10120.0C35—C36—C31120.48 (19)
C10—C11—C12120.4 (2)C35—C36—H36119.8
C10—C11—H11119.8C31—C36—H36119.8
C12—C11—H11119.8N1—C37—C38117.60 (16)
C11—C12—C7120.2 (2)N1—C37—S1122.48 (14)
C11—C12—H12119.9C38—C37—S1119.91 (14)
C7—C12—H12119.9C43—C38—C39118.97 (18)
C14—C13—C18118.83 (18)C43—C38—C37120.29 (17)
C14—C13—P1115.88 (15)C39—C38—C37120.74 (18)
C18—C13—P1125.29 (14)C40—C39—C38120.1 (2)
C15—C14—C13120.6 (2)C40—C39—H39120.0
C15—C14—H14119.7C38—C39—H39120.0
C13—C14—H14119.7C41—C40—C39120.4 (2)
C16—C15—C14120.3 (2)C41—C40—H40119.8
C16—C15—H15119.9C39—C40—H40119.8
C14—C15—H15119.9C40—C41—C42119.7 (2)
C17—C16—C15119.7 (2)C40—C41—H41120.1
C17—C16—H16120.1C42—C41—H41120.1
C15—C16—H16120.1C41—C42—C43120.2 (2)
C16—C17—C18120.6 (2)C41—C42—H42119.9
C16—C17—H17119.7C43—C42—H42119.9
C18—C17—H17119.7C38—C43—C42120.6 (2)
C17—C18—C13119.99 (19)C38—C43—H43119.7
C17—C18—H18120.0C42—C43—H43119.7
C13—C18—H18120.0
C7—P1—C1—C6121.08 (16)P2—C19—C20—C21179.13 (18)
C13—P1—C1—C6128.69 (16)C19—C20—C21—C220.3 (4)
Ag1—P1—C1—C62.47 (17)C20—C21—C22—C230.5 (4)
C7—P1—C1—C259.59 (17)C21—C22—C23—C240.8 (4)
C13—P1—C1—C250.64 (17)C20—C19—C24—C230.5 (3)
Ag1—P1—C1—C2176.86 (13)P2—C19—C24—C23179.44 (18)
C6—C1—C2—C30.6 (3)C22—C23—C24—C190.3 (4)
P1—C1—C2—C3179.96 (15)C19—P2—C25—C2681.47 (18)
C1—C2—C3—C40.4 (3)C31—P2—C25—C2626.25 (18)
C2—C3—C4—C50.1 (3)Ag1—P2—C25—C26150.62 (15)
C3—C4—C5—C60.3 (3)C19—P2—C25—C3097.99 (15)
C2—C1—C6—C50.5 (3)C31—P2—C25—C30154.29 (14)
P1—C1—C6—C5179.81 (16)Ag1—P2—C25—C3029.92 (16)
C4—C5—C6—C10.0 (3)C30—C25—C26—C270.2 (3)
C13—P1—C7—C12130.56 (17)P2—C25—C26—C27179.70 (16)
C1—P1—C7—C1222.97 (19)C25—C26—C27—C280.8 (3)
Ag1—P1—C7—C12103.94 (16)C26—C27—C28—C290.4 (3)
C13—P1—C7—C855.30 (17)C27—C28—C29—C300.6 (3)
C1—P1—C7—C8162.89 (16)C28—C29—C30—C251.1 (3)
Ag1—P1—C7—C870.20 (16)C26—C25—C30—C290.7 (3)
C12—C7—C8—C92.3 (3)P2—C25—C30—C29178.80 (16)
P1—C7—C8—C9176.59 (17)C19—P2—C31—C3635.53 (18)
C7—C8—C9—C101.6 (3)C25—P2—C31—C3673.24 (17)
C8—C9—C10—C110.2 (4)Ag1—P2—C31—C36163.06 (14)
C9—C10—C11—C121.3 (4)C19—P2—C31—C32144.12 (15)
C10—C11—C12—C70.6 (4)C25—P2—C31—C32107.10 (16)
C8—C7—C12—C111.2 (3)Ag1—P2—C31—C3216.59 (17)
P1—C7—C12—C11175.38 (17)C36—C31—C32—C332.0 (3)
C7—P1—C13—C14168.93 (15)P2—C31—C32—C33178.37 (16)
C1—P1—C13—C1481.80 (16)C31—C32—C33—C340.5 (3)
Ag1—P1—C13—C1445.60 (17)C32—C33—C34—C351.1 (3)
C7—P1—C13—C1811.10 (18)C33—C34—C35—C361.2 (3)
C1—P1—C13—C1898.18 (17)C34—C35—C36—C310.2 (3)
Ag1—P1—C13—C18134.42 (15)C32—C31—C36—C351.8 (3)
C18—C13—C14—C151.3 (3)P2—C31—C36—C35178.54 (15)
P1—C13—C14—C15178.66 (18)Ag1—S1—C37—N119.52 (18)
C13—C14—C15—C161.8 (4)Ag1—S1—C37—C38161.76 (13)
C14—C15—C16—C170.6 (3)N1—C37—C38—C43153.7 (2)
C15—C16—C17—C181.0 (3)S1—C37—C38—C4327.5 (3)
C16—C17—C18—C131.5 (3)N1—C37—C38—C3926.7 (3)
C14—C13—C18—C170.3 (3)S1—C37—C38—C39152.13 (17)
P1—C13—C18—C17179.73 (14)C43—C38—C39—C401.1 (3)
C31—P2—C19—C2481.55 (17)C37—C38—C39—C40178.5 (2)
C25—P2—C19—C24168.66 (16)C38—C39—C40—C410.2 (4)
Ag1—P2—C19—C2443.67 (18)C39—C40—C41—C420.8 (4)
C31—P2—C19—C2098.36 (18)C40—C41—C42—C430.9 (4)
C25—P2—C19—C2011.4 (2)C39—C38—C43—C421.1 (4)
Ag1—P2—C19—C20136.42 (16)C37—C38—C43—C42178.5 (2)
C24—C19—C20—C210.8 (3)C41—C42—C43—C380.1 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···Cl1i0.862.433.1798 (17)146
N1—H1B···Cl10.862.393.2434 (17)173
Symmetry code: (i) x+2, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···Cl1i0.862.433.1798 (17)145.7
N1—H1B···Cl10.862.393.2434 (17)172.7
Symmetry code: (i) x+2, y, z.
 

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