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Reaction of silver(I) salts with three equivalents of tri-p-tolylphosphine in CH3CN resulted in a series of isomorphous complexes [AgX{P(4-MeC6H4)3}3] (X = Br, SCN, ClO4). These complexes all crystallize in the orthorhombic space group Pna21. The complexes with X = Br, SCN are distorted tetrahedral around the silver(I) atom, whereas the ClO4- complex is distorted trigonal planar around the silver. The new complexes are compared with each other using r.m.s. overlay calculations as well as half-normal probability plot analysis and with the previously reported isomorphous chloride, bromide as well as the non-isomorphous iodide complexes.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768109036404/ps5003sup1.cif
Contains datablocks global, I, II, III

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768109036404/ps5003Isup2.fcf
Contains datablock I

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768109036404/ps5003IIsup3.fcf
Contains datablock II

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768109036404/ps5003IIIsup4.fcf
Contains datablock III

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S0108768109036404/ps5003sup5.pdf
Probability plots and hydrogen-bond table

CCDC references: 760236; 760237; 760238

Computing details top

Data collection: Apex2 (Bruker, 2005) for (II); APEX2 (Bruker, 2005) for (III). For all compounds, cell refinement: SAINT-Plus (Bruker, 2004). Data reduction: SAINT-Plus and XPREP (Bruker, 2004) for (I), (III); SAINT-Plus and XPREP (Bruker 2004) for (II). Program(s) used to solve structure: SHELXL97 (Sheldrick, 1997) for (I), (III); SHELXS97 (Sheldrick, 1997) for (II). Program(s) used to refine structure: SIR97 (Altomare et al., 1999) for (I); SHELXL97 (Sheldrick, 1997) for (II); SHELXS97 (Sheldrick, 1997) for (III). For all compounds, molecular graphics: DIAMOND 3.0c (Brandenburg & Putz, 2004); software used to prepare material for publication: WinGX (Farrugia, 1999).

(I) top
Crystal data top
2(C63H63AgBrP3)·C3H6NDx = 1.345 Mg m3
Mr = 2257.72Mo Kα radiation, λ = 0.71069 Å
Orthorhombic, Pna21Cell parameters from 5664 reflections
a = 20.5740 (5) Åθ = 1.3–28.4°
b = 25.5930 (8) ŵ = 1.21 mm1
c = 10.5860 (7) ÅT = 100 K
V = 5574.1 (4) Å3Cuboid, colourless
Z = 20.44 × 0.21 × 0.18 mm
F(000) = 2360
Data collection top
Bruker X8 ApexII 4K Kappa CCD
diffractometer
9587 reflections with I > 2σ(I)
ω and φ scansRint = 0.066
Absorption correction: multi-scan
SADABS (Bruker, 2004)
θmax = 28.4°, θmin = 1.3°
Tmin = 0.619, Tmax = 0.812h = 2725
42533 measured reflectionsk = 3434
12171 independent reflectionsl = 1114
Refinement top
Refinement on F2H-atom parameters constrained
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0243P)2 + 0.9591P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.043(Δ/σ)max = 0.015
wR(F2) = 0.095Δρmax = 0.53 e Å3
S = 1.06Δρmin = 0.59 e Å3
12171 reflectionsAbsolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
650 parametersAbsolute structure parameter: 0.003 (7)
3 restraints
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*/UeqOcc. (<1)
P10.77429 (5)0.48169 (3)0.70519 (10)0.0157 (2)
P20.82915 (5)0.32153 (4)0.73369 (10)0.0166 (2)
P30.63468 (5)0.35400 (3)0.69930 (10)0.0152 (2)
Br10.74092 (2)0.390378 (15)0.39854 (4)0.02529 (11)
N010.4641 (4)0.1959 (3)0.1851 (7)0.034 (2)0.5
C020.4052 (4)0.1262 (3)0.3200 (7)0.091 (3)
H02A0.40930.09220.2780.136*
H02B0.35910.13520.32840.136*
H02C0.42510.12440.40390.136*
Ag10.748095 (15)0.388351 (9)0.65604 (3)0.01535 (7)
C010.4388 (4)0.1669 (3)0.2432 (8)0.0185 (17)0.5
C1110.72088 (19)0.53008 (13)0.6331 (4)0.0159 (8)
C1120.7432 (2)0.57786 (15)0.5871 (4)0.0218 (9)
H1120.78840.58540.58740.026*
C1130.6992 (2)0.61445 (14)0.5407 (4)0.0241 (9)
H1130.7150.64670.50830.029*
C1140.6335 (2)0.60498 (13)0.5409 (4)0.0227 (9)
C1150.6118 (2)0.55748 (15)0.5869 (4)0.0286 (11)
H1150.56650.55010.58750.034*
C1160.6549 (2)0.52055 (15)0.6318 (4)0.0281 (11)
H1160.63890.48810.66240.034*
C1170.5871 (2)0.64555 (16)0.4937 (5)0.0342 (12)
H11A0.60450.68040.51160.051*
H11B0.54510.64140.53640.051*
H11C0.58120.64140.40240.051*
C1210.85433 (18)0.50313 (12)0.6536 (4)0.0183 (8)
C1220.8972 (2)0.53060 (14)0.7295 (4)0.0239 (9)
H1220.88460.53960.8130.029*
C1230.9581 (2)0.54517 (14)0.6865 (4)0.0244 (10)
H1230.98660.56380.7410.029*
C1240.9781 (2)0.53296 (15)0.5647 (4)0.0240 (10)
C1250.9348 (2)0.50619 (15)0.4867 (4)0.0253 (10)
H1250.94710.49810.40250.03*
C1260.87468 (19)0.49142 (13)0.5294 (4)0.0211 (8)
H1260.84620.4730.47460.025*
C1271.0449 (2)0.54764 (16)0.5194 (5)0.0316 (10)
H12A1.05450.58370.54440.047*
H12B1.04680.54470.42720.047*
H12C1.07710.52410.55710.047*
C1310.77053 (19)0.49982 (14)0.8724 (4)0.0169 (9)
C1320.7781 (2)0.46138 (15)0.9633 (4)0.0189 (9)
H1320.7890.42690.9380.023*
C1330.7701 (2)0.47250 (16)1.0906 (4)0.0223 (10)
H1330.77570.44551.15120.027*
C1340.7538 (2)0.52260 (15)1.1309 (4)0.0186 (9)
C1350.7485 (2)0.56142 (14)1.0393 (5)0.0228 (9)
H1350.73910.59621.06460.027*
C1360.75639 (19)0.55054 (14)0.9129 (4)0.0217 (9)
H1360.75220.57780.85250.026*
C1370.7396 (2)0.5345 (2)1.2678 (4)0.0319 (12)
H13A0.70710.50981.29970.048*
H13B0.72290.57021.27530.048*
H13C0.77970.53111.31730.048*
C2110.84400 (19)0.26558 (14)0.6306 (4)0.0169 (9)
C2120.86574 (19)0.21784 (13)0.6754 (4)0.0217 (9)
H2120.8710.21260.76360.026*
C2130.8798 (2)0.17765 (16)0.5916 (4)0.0236 (10)
H2130.89410.14490.62360.028*
C2140.8734 (2)0.18437 (15)0.4620 (4)0.0221 (10)
C2150.8512 (2)0.23208 (15)0.4185 (4)0.0245 (10)
H2150.84570.23730.33030.029*
C2160.8368 (2)0.27245 (15)0.5014 (4)0.0246 (10)
H2160.8220.3050.46940.03*
C2170.8883 (2)0.14074 (15)0.3704 (4)0.0282 (11)
H21A0.86580.14730.29030.042*
H21B0.87360.10740.40590.042*
H21C0.93530.13920.35540.042*
C2210.79925 (19)0.29306 (13)0.8807 (4)0.0193 (9)
C2220.8146 (2)0.31365 (15)0.9988 (4)0.0261 (10)
H2220.84610.34071.00530.031*
C2230.7847 (3)0.29509 (17)1.1061 (4)0.0324 (12)
H2230.79590.30961.18580.039*
C2240.7386 (2)0.25576 (17)1.1004 (4)0.0282 (11)
C2250.7226 (2)0.23623 (16)0.9832 (4)0.0262 (10)
H2250.69030.20980.97720.031*
C2260.7519 (2)0.25401 (14)0.8745 (4)0.0220 (9)
H2260.740.23970.79510.026*
C2270.7078 (3)0.23477 (18)1.2196 (5)0.0429 (14)
H22A0.66130.22891.20520.064*
H22B0.71350.26011.28820.064*
H22C0.72860.20171.24290.064*
C2310.9128 (2)0.34194 (14)0.7674 (4)0.0169 (9)
C2320.9544 (2)0.31648 (15)0.8494 (4)0.0234 (10)
H2320.93890.28820.89910.028*
C2331.0181 (2)0.33188 (15)0.8592 (4)0.0257 (10)
H2331.04560.31450.91780.031*
C2341.0436 (2)0.37201 (16)0.7864 (4)0.0230 (10)
C2351.0014 (2)0.39762 (14)0.7055 (4)0.0245 (10)
H2351.01710.42570.65540.029*
C2360.9367 (2)0.38319 (13)0.6960 (4)0.0203 (9)
H2360.90860.40160.64040.024*
C2371.1137 (2)0.38566 (18)0.7925 (5)0.0342 (12)
H23A1.13950.35720.75610.051*
H23B1.12640.3910.88080.051*
H23C1.12150.41780.74460.051*
C3110.56772 (17)0.39657 (12)0.6519 (4)0.0166 (8)
C3120.5208 (2)0.41489 (14)0.7348 (4)0.0204 (9)
H3120.52180.40430.82080.025*
C3130.47228 (19)0.44853 (13)0.6938 (4)0.0234 (10)
H3130.44050.46060.7520.028*
C3140.4697 (2)0.46476 (14)0.5690 (4)0.0244 (11)
C3150.5170 (2)0.44651 (15)0.4874 (4)0.0264 (10)
H3150.5160.45730.40160.032*
C3160.56573 (19)0.41311 (13)0.5263 (5)0.0222 (8)
H3160.59770.40140.4680.027*
C3170.4182 (2)0.50179 (15)0.5246 (6)0.0406 (12)
H31A0.43220.53780.54020.061*
H31B0.37770.4950.57050.061*
H31C0.41090.49680.43390.061*
C3210.61573 (19)0.29391 (13)0.6154 (3)0.0154 (8)
C3220.5523 (2)0.27694 (15)0.5915 (4)0.0198 (9)
H3220.51650.29810.61610.024*
C3230.5413 (2)0.22942 (14)0.5320 (4)0.0243 (9)
H3230.4980.21830.51650.029*
C3240.5926 (2)0.19803 (14)0.4950 (4)0.0241 (10)
C3250.6551 (2)0.21497 (13)0.5187 (4)0.0231 (9)
H3250.69060.19330.49560.028*
C3260.6672 (2)0.26251 (14)0.5752 (4)0.0193 (9)
H3260.71070.27390.58680.023*
C3270.5819 (3)0.14704 (16)0.4266 (4)0.0393 (13)
H32A0.53750.13470.4420.059*
H32B0.6130.1210.45750.059*
H32C0.58830.15230.33570.059*
C3310.6165 (2)0.33917 (13)0.8646 (4)0.0171 (9)
C3320.57429 (18)0.29970 (14)0.9029 (4)0.0196 (8)
H3320.55450.27770.84160.024*
C3330.56095 (19)0.29229 (13)1.0304 (4)0.0213 (8)
H3330.53210.26521.0550.026*
C3340.5889 (2)0.32374 (15)1.1225 (4)0.0206 (9)
C3350.6322 (2)0.36221 (16)1.0834 (4)0.0240 (10)
H3350.65290.38361.14480.029*
C3360.6459 (2)0.36987 (15)0.9569 (4)0.0200 (9)
H3360.67560.39640.93260.024*
C3370.5730 (3)0.31681 (19)1.2600 (4)0.0335 (12)
H33A0.61260.3211.31030.05*
H33B0.5550.28181.27360.05*
H33C0.5410.34311.28560.05*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
P10.0202 (5)0.0131 (4)0.0139 (5)0.0007 (4)0.0020 (4)0.0009 (4)
P20.0202 (6)0.0155 (4)0.0139 (6)0.0032 (4)0.0022 (5)0.0003 (4)
P30.0182 (5)0.0138 (4)0.0136 (5)0.0005 (4)0.0013 (4)0.0005 (4)
Br10.0394 (3)0.0242 (2)0.0123 (2)0.00296 (18)0.0013 (2)0.00124 (18)
N010.043 (5)0.050 (5)0.011 (4)0.018 (4)0.000 (4)0.007 (3)
C020.062 (6)0.119 (7)0.091 (6)0.033 (5)0.020 (4)0.016 (5)
Ag10.01949 (13)0.01283 (10)0.01371 (15)0.00060 (12)0.00083 (13)0.00019 (14)
C010.014 (4)0.028 (4)0.014 (5)0.005 (3)0.003 (4)0.002 (3)
C1110.022 (2)0.0150 (16)0.011 (2)0.0021 (14)0.0021 (17)0.0026 (14)
C1120.023 (2)0.0205 (18)0.022 (2)0.0021 (17)0.0023 (18)0.0028 (16)
C1130.031 (2)0.0200 (17)0.021 (2)0.0009 (16)0.005 (2)0.0081 (18)
C1140.034 (2)0.0196 (17)0.015 (2)0.0038 (16)0.007 (2)0.0055 (17)
C1150.021 (3)0.023 (2)0.042 (3)0.0018 (18)0.010 (2)0.0017 (19)
C1160.030 (2)0.0188 (19)0.035 (3)0.0064 (17)0.003 (2)0.0014 (18)
C1170.037 (3)0.030 (2)0.036 (3)0.004 (2)0.007 (2)0.0056 (19)
C1210.022 (2)0.0139 (15)0.019 (2)0.0006 (14)0.004 (2)0.0019 (17)
C1220.025 (2)0.024 (2)0.022 (3)0.0018 (17)0.006 (2)0.0029 (17)
C1230.021 (2)0.0262 (19)0.026 (3)0.0024 (16)0.0048 (19)0.0017 (17)
C1240.021 (2)0.023 (2)0.029 (3)0.0036 (17)0.0056 (19)0.0084 (16)
C1250.032 (3)0.028 (2)0.016 (2)0.0057 (19)0.0076 (19)0.0033 (17)
C1260.025 (2)0.0193 (17)0.019 (2)0.0002 (15)0.001 (2)0.0005 (19)
C1270.025 (2)0.038 (2)0.032 (3)0.0012 (18)0.008 (2)0.006 (2)
C1310.017 (2)0.0201 (18)0.013 (2)0.0015 (15)0.0005 (17)0.0030 (15)
C1320.020 (2)0.0188 (18)0.018 (2)0.0033 (17)0.0002 (19)0.0002 (16)
C1330.021 (2)0.027 (2)0.019 (3)0.0015 (17)0.0020 (19)0.0048 (17)
C1340.0145 (19)0.0295 (19)0.012 (3)0.0041 (17)0.0040 (18)0.0051 (16)
C1350.027 (2)0.0219 (16)0.020 (2)0.0013 (16)0.001 (2)0.004 (2)
C1360.029 (2)0.0217 (18)0.015 (2)0.0012 (16)0.002 (2)0.0032 (17)
C1370.038 (3)0.041 (3)0.017 (3)0.006 (2)0.000 (2)0.0028 (19)
C2110.015 (2)0.0210 (18)0.015 (2)0.0001 (15)0.0013 (17)0.0023 (15)
C2120.023 (2)0.0215 (18)0.020 (3)0.0064 (15)0.0026 (19)0.0025 (16)
C2130.029 (3)0.018 (2)0.024 (3)0.0044 (18)0.002 (2)0.0014 (17)
C2140.016 (2)0.022 (2)0.028 (3)0.0022 (17)0.0013 (19)0.0075 (18)
C2150.031 (3)0.032 (2)0.010 (2)0.0060 (18)0.003 (2)0.0014 (17)
C2160.040 (3)0.0213 (19)0.013 (3)0.0099 (18)0.000 (2)0.0017 (16)
C2170.026 (3)0.029 (2)0.029 (3)0.0054 (19)0.002 (2)0.0083 (19)
C2210.023 (2)0.0166 (17)0.018 (2)0.0095 (15)0.0005 (19)0.0016 (16)
C2220.042 (3)0.0203 (19)0.016 (3)0.0085 (18)0.001 (2)0.0013 (15)
C2230.048 (3)0.033 (2)0.016 (3)0.019 (2)0.000 (2)0.0005 (18)
C2240.034 (3)0.030 (2)0.021 (3)0.019 (2)0.008 (2)0.0072 (18)
C2250.025 (2)0.028 (2)0.026 (3)0.0096 (19)0.005 (2)0.0100 (18)
C2260.024 (2)0.0202 (18)0.022 (3)0.0047 (17)0.000 (2)0.0009 (16)
C2270.056 (4)0.046 (3)0.027 (3)0.018 (3)0.008 (3)0.014 (2)
C2310.020 (2)0.0170 (19)0.014 (2)0.0012 (16)0.0008 (17)0.0030 (15)
C2320.027 (3)0.0160 (19)0.027 (3)0.0023 (17)0.006 (2)0.0049 (17)
C2330.024 (3)0.026 (2)0.027 (3)0.0035 (18)0.008 (2)0.0001 (18)
C2340.020 (2)0.024 (2)0.026 (3)0.0044 (17)0.0008 (18)0.0070 (17)
C2350.026 (2)0.0205 (18)0.027 (3)0.0013 (16)0.006 (2)0.0013 (17)
C2360.024 (2)0.0168 (17)0.020 (2)0.0038 (16)0.0011 (18)0.0012 (16)
C2370.026 (3)0.035 (3)0.042 (3)0.002 (2)0.002 (2)0.006 (2)
C3110.0139 (18)0.0115 (15)0.024 (2)0.0019 (12)0.002 (2)0.0004 (18)
C3120.021 (2)0.0192 (19)0.021 (2)0.0027 (16)0.0023 (19)0.0008 (17)
C3130.019 (2)0.0164 (17)0.035 (3)0.0000 (15)0.0039 (19)0.0014 (17)
C3140.019 (2)0.0120 (17)0.042 (3)0.0035 (16)0.005 (2)0.0010 (16)
C3150.032 (3)0.024 (2)0.022 (3)0.0041 (18)0.011 (2)0.0044 (16)
C3160.025 (2)0.0201 (17)0.022 (2)0.0013 (15)0.003 (2)0.004 (2)
C3170.027 (3)0.028 (2)0.067 (4)0.0056 (18)0.013 (3)0.018 (3)
C3210.021 (2)0.0161 (17)0.009 (2)0.0008 (15)0.0039 (16)0.0040 (13)
C3220.020 (2)0.0204 (19)0.019 (2)0.0038 (16)0.0012 (18)0.0030 (16)
C3230.028 (2)0.0285 (19)0.016 (2)0.0115 (16)0.002 (2)0.001 (2)
C3240.042 (3)0.0205 (19)0.010 (2)0.0066 (18)0.0031 (19)0.0004 (15)
C3250.038 (3)0.0163 (16)0.015 (2)0.0077 (16)0.008 (2)0.0023 (17)
C3260.027 (2)0.0191 (19)0.012 (2)0.0006 (17)0.0010 (18)0.0051 (15)
C3270.065 (4)0.027 (2)0.026 (3)0.014 (2)0.007 (3)0.0135 (19)
C3310.023 (2)0.0161 (17)0.012 (2)0.0031 (15)0.0016 (17)0.0019 (15)
C3320.021 (2)0.0207 (18)0.018 (2)0.0014 (15)0.002 (2)0.0007 (17)
C3330.026 (2)0.0204 (17)0.017 (2)0.0006 (15)0.004 (2)0.0044 (19)
C3340.023 (2)0.0216 (19)0.017 (3)0.0076 (16)0.0033 (18)0.0006 (16)
C3350.025 (3)0.025 (2)0.022 (3)0.0011 (19)0.005 (2)0.0062 (17)
C3360.023 (2)0.0177 (18)0.019 (3)0.0010 (16)0.0007 (18)0.0021 (16)
C3370.041 (3)0.041 (3)0.018 (3)0.005 (2)0.003 (2)0.006 (2)
Geometric parameters (Å, º) top
P1—C1211.820 (4)C217—H21B0.98
P1—C1111.823 (4)C217—H21C0.98
P1—C1311.832 (4)C221—C2221.393 (6)
P1—Ag12.5034 (9)C221—C2261.397 (5)
P2—C2211.825 (4)C222—C2231.377 (6)
P2—C2111.826 (4)C222—H2220.95
P2—C2311.834 (4)C223—C2241.384 (7)
P2—Ag12.5261 (10)C223—H2230.95
P3—C3211.818 (4)C224—C2251.378 (6)
P3—C3111.826 (4)C224—C2271.511 (6)
P3—C3311.829 (4)C225—C2261.376 (6)
P3—Ag12.5353 (11)C225—H2250.95
Br1—Ag12.7304 (5)C226—H2260.95
N01—C011.095 (9)C227—H22A0.98
C02—C011.492 (9)C227—H22B0.98
C02—H02A0.98C227—H22C0.98
C02—H02B0.98C231—C2321.382 (5)
C02—H02C0.98C231—C2361.388 (5)
C111—C1161.379 (5)C232—C2331.371 (6)
C111—C1121.394 (5)C232—H2320.95
C112—C1131.391 (5)C233—C2341.388 (6)
C112—H1120.95C233—H2330.95
C113—C1141.374 (6)C234—C2351.385 (6)
C113—H1130.95C234—C2371.486 (6)
C114—C1151.384 (5)C235—C2361.384 (6)
C114—C1171.497 (5)C235—H2350.95
C115—C1161.381 (6)C236—H2360.95
C115—H1150.95C237—H23A0.98
C116—H1160.95C237—H23B0.98
C117—H11A0.98C237—H23C0.98
C117—H11B0.98C311—C3121.386 (5)
C117—H11C0.98C311—C3161.396 (6)
C121—C1221.385 (6)C312—C3131.387 (5)
C121—C1261.412 (6)C312—H3120.95
C122—C1231.384 (6)C313—C3141.387 (6)
C122—H1220.95C313—H3130.95
C123—C1241.389 (6)C314—C3151.383 (6)
C123—H1230.95C314—C3171.498 (6)
C124—C1251.396 (6)C315—C3161.380 (5)
C124—C1271.504 (6)C315—H3150.95
C125—C1261.370 (6)C316—H3160.95
C125—H1250.95C317—H31A0.98
C126—H1260.95C317—H31B0.98
C127—H12A0.98C317—H31C0.98
C127—H12B0.98C321—C3261.395 (5)
C127—H12C0.98C321—C3221.399 (5)
C131—C1321.384 (5)C322—C3231.388 (5)
C131—C1361.397 (5)C322—H3220.95
C132—C1331.388 (5)C323—C3241.382 (6)
C132—H1320.95C323—H3230.95
C133—C1341.392 (5)C324—C3251.380 (6)
C133—H1330.95C324—C3271.509 (5)
C134—C1351.393 (6)C325—C3261.378 (5)
C134—C1371.509 (6)C325—H3250.95
C135—C1361.376 (6)C326—H3260.95
C135—H1350.95C327—H32A0.98
C136—H1360.95C327—H32B0.98
C137—H13A0.98C327—H32C0.98
C137—H13B0.98C331—C3361.391 (5)
C137—H13C0.98C331—C3321.393 (5)
C211—C2121.385 (5)C332—C3331.390 (6)
C211—C2161.387 (6)C332—H3320.95
C212—C2131.389 (5)C333—C3341.389 (6)
C212—H2120.95C333—H3330.95
C213—C2141.389 (5)C334—C3351.391 (6)
C213—H2130.95C334—C3371.502 (6)
C214—C2151.383 (6)C335—C3361.383 (6)
C214—C2171.511 (5)C335—H3350.95
C215—C2161.388 (5)C336—H3360.95
C215—H2150.95C337—H33A0.98
C216—H2160.95C337—H33B0.98
C217—H21A0.98C337—H33C0.98
C121—P1—C111102.41 (17)C214—C217—H21C109.5
C121—P1—C131104.58 (19)H21A—C217—H21C109.5
C111—P1—C131101.95 (17)H21B—C217—H21C109.5
C121—P1—Ag1114.85 (12)C222—C221—C226118.1 (4)
C111—P1—Ag1115.56 (12)C222—C221—P2122.5 (3)
C131—P1—Ag1115.69 (12)C226—C221—P2118.7 (3)
C221—P2—C211104.67 (17)C223—C222—C221120.5 (4)
C221—P2—C231105.30 (19)C223—C222—H222119.7
C211—P2—C231100.53 (17)C221—C222—H222119.7
C221—P2—Ag1108.98 (12)C222—C223—C224121.4 (4)
C211—P2—Ag1116.53 (13)C222—C223—H223119.3
C231—P2—Ag1119.34 (13)C224—C223—H223119.3
C321—P3—C311102.05 (17)C225—C224—C223117.9 (4)
C321—P3—C331104.37 (17)C225—C224—C227121.5 (4)
C311—P3—C331103.44 (19)C223—C224—C227120.6 (4)
C321—P3—Ag1113.72 (14)C226—C225—C224121.8 (4)
C311—P3—Ag1115.96 (12)C226—C225—H225119.1
C331—P3—Ag1115.63 (13)C224—C225—H225119.1
C01—C02—H02A109.5C225—C226—C221120.2 (4)
C01—C02—H02B109.5C225—C226—H226119.9
H02A—C02—H02B109.5C221—C226—H226119.9
C01—C02—H02C109.5C224—C227—H22A109.5
H02A—C02—H02C109.5C224—C227—H22B109.5
H02B—C02—H02C109.5H22A—C227—H22B109.5
P1—Ag1—P2115.87 (4)C224—C227—H22C109.5
P1—Ag1—P3119.44 (3)H22A—C227—H22C109.5
P2—Ag1—P3108.30 (3)H22B—C227—H22C109.5
P1—Ag1—Br1101.59 (3)C232—C231—C236118.7 (4)
P2—Ag1—Br1111.92 (3)C232—C231—P2124.7 (3)
P3—Ag1—Br197.88 (3)C236—C231—P2116.3 (3)
N01—C01—C02178.3 (10)C233—C232—C231120.3 (4)
C116—C111—C112118.4 (4)C233—C232—H232119.9
C116—C111—P1118.5 (3)C231—C232—H232119.9
C112—C111—P1122.9 (3)C232—C233—C234122.1 (4)
C113—C112—C111120.0 (4)C232—C233—H233118.9
C113—C112—H112120C234—C233—H233118.9
C111—C112—H112120C235—C234—C233117.2 (4)
C114—C113—C112121.4 (4)C235—C234—C237121.7 (4)
C114—C113—H113119.3C233—C234—C237121.1 (4)
C112—C113—H113119.3C236—C235—C234121.4 (4)
C113—C114—C115118.2 (4)C236—C235—H235119.3
C113—C114—C117120.4 (4)C234—C235—H235119.3
C115—C114—C117121.4 (4)C235—C236—C231120.2 (4)
C116—C115—C114121.0 (4)C235—C236—H236119.9
C116—C115—H115119.5C231—C236—H236119.9
C114—C115—H115119.5C234—C237—H23A109.5
C111—C116—C115121.0 (4)C234—C237—H23B109.5
C111—C116—H116119.5H23A—C237—H23B109.5
C115—C116—H116119.5C234—C237—H23C109.5
C114—C117—H11A109.5H23A—C237—H23C109.5
C114—C117—H11B109.5H23B—C237—H23C109.5
H11A—C117—H11B109.5C312—C311—C316118.7 (3)
C114—C117—H11C109.5C312—C311—P3123.6 (3)
H11A—C117—H11C109.5C316—C311—P3117.7 (3)
H11B—C117—H11C109.5C311—C312—C313120.9 (4)
C122—C121—C126117.3 (4)C311—C312—H312119.6
C122—C121—P1123.8 (3)C313—C312—H312119.6
C126—C121—P1118.9 (3)C314—C313—C312120.8 (4)
C123—C122—C121121.5 (4)C314—C313—H313119.6
C123—C122—H122119.2C312—C313—H313119.6
C121—C122—H122119.2C315—C314—C313117.8 (4)
C122—C123—C124120.8 (4)C315—C314—C317121.1 (4)
C122—C123—H123119.6C313—C314—C317121.0 (4)
C124—C123—H123119.6C316—C315—C314122.3 (4)
C123—C124—C125118.1 (4)C316—C315—H315118.9
C123—C124—C127120.7 (4)C314—C315—H315118.9
C125—C124—C127121.2 (4)C315—C316—C311119.6 (4)
C126—C125—C124121.1 (4)C315—C316—H316120.2
C126—C125—H125119.5C311—C316—H316120.2
C124—C125—H125119.5C314—C317—H31A109.5
C125—C126—C121121.1 (4)C314—C317—H31B109.5
C125—C126—H126119.4H31A—C317—H31B109.5
C121—C126—H126119.4C314—C317—H31C109.5
C124—C127—H12A109.5H31A—C317—H31C109.5
C124—C127—H12B109.5H31B—C317—H31C109.5
H12A—C127—H12B109.5C326—C321—C322118.3 (3)
C124—C127—H12C109.5C326—C321—P3118.3 (3)
H12A—C127—H12C109.5C322—C321—P3123.4 (3)
H12B—C127—H12C109.5C323—C322—C321120.4 (4)
C132—C131—C136118.1 (4)C323—C322—H322119.8
C132—C131—P1119.1 (3)C321—C322—H322119.8
C136—C131—P1122.7 (3)C324—C323—C322120.9 (4)
C131—C132—C133121.0 (4)C324—C323—H323119.5
C131—C132—H132119.5C322—C323—H323119.5
C133—C132—H132119.5C325—C324—C323118.5 (3)
C132—C133—C134121.0 (4)C325—C324—C327119.6 (4)
C132—C133—H133119.5C323—C324—C327121.9 (4)
C134—C133—H133119.5C326—C325—C324121.6 (4)
C133—C134—C135117.5 (4)C326—C325—H325119.2
C133—C134—C137121.7 (4)C324—C325—H325119.2
C135—C134—C137120.7 (4)C325—C326—C321120.2 (4)
C136—C135—C134121.6 (4)C325—C326—H326119.9
C136—C135—H135119.2C321—C326—H326119.9
C134—C135—H135119.2C324—C327—H32A109.5
C135—C136—C131120.7 (4)C324—C327—H32B109.5
C135—C136—H136119.7H32A—C327—H32B109.5
C131—C136—H136119.7C324—C327—H32C109.5
C134—C137—H13A109.5H32A—C327—H32C109.5
C134—C137—H13B109.5H32B—C327—H32C109.5
H13A—C137—H13B109.5C336—C331—C332118.4 (4)
C134—C137—H13C109.5C336—C331—P3117.8 (3)
H13A—C137—H13C109.5C332—C331—P3123.8 (3)
H13B—C137—H13C109.5C333—C332—C331120.3 (4)
C212—C211—C216119.0 (4)C333—C332—H332119.8
C212—C211—P2122.7 (3)C331—C332—H332119.8
C216—C211—P2118.2 (3)C334—C333—C332121.4 (4)
C211—C212—C213120.1 (4)C334—C333—H333119.3
C211—C212—H212119.9C332—C333—H333119.3
C213—C212—H212119.9C333—C334—C335117.8 (4)
C214—C213—C212121.3 (4)C333—C334—C337121.4 (4)
C214—C213—H213119.4C335—C334—C337120.8 (4)
C212—C213—H213119.4C336—C335—C334121.2 (4)
C215—C214—C213118.1 (4)C336—C335—H335119.4
C215—C214—C217120.4 (4)C334—C335—H335119.4
C213—C214—C217121.6 (4)C335—C336—C331120.8 (4)
C214—C215—C216121.1 (4)C335—C336—H336119.6
C214—C215—H215119.4C331—C336—H336119.6
C216—C215—H215119.4C334—C337—H33A109.5
C211—C216—C215120.4 (4)C334—C337—H33B109.5
C211—C216—H216119.8H33A—C337—H33B109.5
C215—C216—H216119.8C334—C337—H33C109.5
C214—C217—H21A109.5H33A—C337—H33C109.5
C214—C217—H21B109.5H33B—C337—H33C109.5
H21A—C217—H21B109.5
C121—P1—Ag1—P254.09 (16)C213—C214—C215—C2161.1 (7)
C111—P1—Ag1—P2173.03 (14)C217—C214—C215—C216179.6 (4)
C131—P1—Ag1—P267.97 (15)C212—C211—C216—C2150.0 (6)
C121—P1—Ag1—P3173.51 (15)P2—C211—C216—C215176.2 (3)
C111—P1—Ag1—P354.56 (15)C214—C215—C216—C2110.5 (7)
C131—P1—Ag1—P364.44 (15)C211—P2—C221—C222143.9 (3)
C121—P1—Ag1—Br167.45 (15)C231—P2—C221—C22238.3 (4)
C111—P1—Ag1—Br151.49 (14)Ag1—P2—C221—C22290.8 (3)
C131—P1—Ag1—Br1170.49 (14)C211—P2—C221—C22645.6 (3)
C221—P2—Ag1—P199.08 (14)C231—P2—C221—C226151.1 (3)
C211—P2—Ag1—P1142.82 (14)Ag1—P2—C221—C22679.8 (3)
C231—P2—Ag1—P121.82 (15)C226—C221—C222—C2231.2 (6)
C221—P2—Ag1—P338.28 (14)P2—C221—C222—C223171.8 (3)
C211—P2—Ag1—P379.81 (14)C221—C222—C223—C2240.1 (6)
C231—P2—Ag1—P3159.19 (14)C222—C223—C224—C2251.2 (7)
C221—P2—Ag1—Br1145.07 (13)C222—C223—C224—C227178.1 (4)
C211—P2—Ag1—Br126.98 (14)C223—C224—C225—C2261.4 (6)
C231—P2—Ag1—Br194.02 (15)C227—C224—C225—C226177.9 (4)
C321—P3—Ag1—P1161.70 (13)C224—C225—C226—C2210.3 (6)
C311—P3—Ag1—P143.83 (17)C222—C221—C226—C2251.0 (6)
C331—P3—Ag1—P177.53 (13)P2—C221—C226—C225172.0 (3)
C321—P3—Ag1—P262.71 (14)C221—P2—C231—C23233.0 (4)
C311—P3—Ag1—P2179.41 (16)C211—P2—C231—C23275.5 (4)
C331—P3—Ag1—P258.06 (13)Ag1—P2—C231—C232155.7 (3)
C321—P3—Ag1—Br153.57 (13)C221—P2—C231—C236153.0 (3)
C311—P3—Ag1—Br164.30 (16)C211—P2—C231—C23698.5 (3)
C331—P3—Ag1—Br1174.34 (13)Ag1—P2—C231—C23630.2 (3)
C121—P1—C111—C116167.7 (3)C236—C231—C232—C2330.1 (6)
C131—P1—C111—C11684.2 (3)P2—C231—C232—C233173.8 (3)
Ag1—P1—C111—C11642.1 (4)C231—C232—C233—C2341.7 (6)
C121—P1—C111—C11216.9 (4)C232—C233—C234—C2352.3 (6)
C131—P1—C111—C11291.2 (4)C232—C233—C234—C237175.9 (4)
Ag1—P1—C111—C112142.5 (3)C233—C234—C235—C2361.1 (6)
C116—C111—C112—C1130.4 (6)C237—C234—C235—C236177.1 (4)
P1—C111—C112—C113175.8 (3)C234—C235—C236—C2310.6 (6)
C111—C112—C113—C1141.0 (7)C232—C231—C236—C2351.2 (6)
C112—C113—C114—C1150.9 (7)P2—C231—C236—C235173.2 (3)
C112—C113—C114—C117178.3 (4)C321—P3—C311—C312113.9 (3)
C113—C114—C115—C1160.2 (7)C331—P3—C311—C3125.8 (3)
C117—C114—C115—C116179.1 (4)Ag1—P3—C311—C312121.9 (3)
C112—C111—C116—C1150.4 (6)C321—P3—C311—C31668.9 (3)
P1—C111—C116—C115175.2 (3)C331—P3—C311—C316177.1 (3)
C114—C115—C116—C1110.5 (7)Ag1—P3—C311—C31655.3 (3)
C111—P1—C121—C122101.6 (3)C316—C311—C312—C3130.7 (5)
C131—P1—C121—C1224.5 (4)P3—C311—C312—C313177.9 (3)
Ag1—P1—C121—C122132.4 (3)C311—C312—C313—C3140.2 (6)
C111—P1—C121—C12678.5 (3)C312—C313—C314—C3150.2 (6)
C131—P1—C121—C126175.5 (3)C312—C313—C314—C317179.0 (4)
Ag1—P1—C121—C12647.6 (3)C313—C314—C315—C3160.1 (6)
C126—C121—C122—C1231.2 (5)C317—C314—C315—C316178.9 (4)
P1—C121—C122—C123178.8 (3)C314—C315—C316—C3110.4 (6)
C121—C122—C123—C1240.5 (6)C312—C311—C316—C3150.8 (5)
C122—C123—C124—C1250.8 (6)P3—C311—C316—C315178.1 (3)
C122—C123—C124—C127178.4 (4)C311—P3—C321—C326148.3 (3)
C123—C124—C125—C1261.2 (6)C331—P3—C321—C326104.2 (3)
C127—C124—C125—C126177.9 (4)Ag1—P3—C321—C32622.7 (3)
C124—C125—C126—C1210.5 (6)C311—P3—C321—C32233.1 (4)
C122—C121—C126—C1250.7 (5)C331—P3—C321—C32274.3 (3)
P1—C121—C126—C125179.2 (3)Ag1—P3—C321—C322158.8 (3)
C121—P1—C131—C132103.5 (3)C326—C321—C322—C3231.6 (6)
C111—P1—C131—C132150.1 (3)P3—C321—C322—C323177.0 (3)
Ag1—P1—C131—C13223.8 (4)C321—C322—C323—C3240.2 (6)
C121—P1—C131—C13680.4 (4)C322—C323—C324—C3250.1 (6)
C111—P1—C131—C13626.0 (4)C322—C323—C324—C327178.0 (4)
Ag1—P1—C131—C136152.2 (3)C323—C324—C325—C3261.5 (6)
C136—C131—C132—C1331.9 (6)C327—C324—C325—C326176.6 (4)
P1—C131—C132—C133174.4 (3)C324—C325—C326—C3213.0 (6)
C131—C132—C133—C1340.3 (7)C322—C321—C326—C3252.9 (5)
C132—C133—C134—C1352.4 (7)P3—C321—C326—C325175.7 (3)
C132—C133—C134—C137175.1 (4)C321—P3—C331—C336158.6 (3)
C133—C134—C135—C1362.5 (6)C311—P3—C331—C33695.0 (3)
C137—C134—C135—C136175.0 (4)Ag1—P3—C331—C33632.9 (3)
C134—C135—C136—C1310.4 (6)C321—P3—C331—C33222.6 (4)
C132—C131—C136—C1351.8 (6)C311—P3—C331—C33283.8 (3)
P1—C131—C136—C135174.3 (3)Ag1—P3—C331—C332148.3 (3)
C221—P2—C211—C21234.3 (4)C336—C331—C332—C3331.5 (6)
C231—P2—C211—C21274.8 (4)P3—C331—C332—C333177.3 (3)
Ag1—P2—C211—C212154.7 (3)C331—C332—C333—C3340.1 (6)
C221—P2—C211—C216149.7 (3)C332—C333—C334—C3351.7 (6)
C231—P2—C211—C216101.3 (3)C332—C333—C334—C337178.2 (4)
Ag1—P2—C211—C21629.3 (4)C333—C334—C335—C3361.6 (6)
C216—C211—C212—C2130.2 (6)C337—C334—C335—C336178.2 (4)
P2—C211—C212—C213176.2 (3)C334—C335—C336—C3310.1 (7)
C211—C212—C213—C2140.9 (7)C332—C331—C336—C3351.5 (6)
C212—C213—C214—C2151.3 (7)P3—C331—C336—C335177.3 (3)
C212—C213—C214—C217179.7 (4)
(II) top
Crystal data top
2(C64H63AgNP3S)·ODx = 1.302 Mg m3
Mr = 2174.02Mo Kα radiation, λ = 0.71069 Å
Orthorhombic, Pna21Cell parameters from 9550 reflections
a = 20.134 (5) Åθ = 1.3–28.3°
b = 25.8990 (6) ŵ = 0.53 mm1
c = 10.6360 (2) ÅT = 100 K
V = 5546.1 (14) Å3Cuboid, colourless
Z = 20.36 × 0.16 × 0.13 mm
F(000) = 2264
Data collection top
Bruker X8 ApexII 4K Kappa CCD
diffractometer
11753 reflections with I > 2σ(I)
ω and φ scansRint = 0.051
Absorption correction: multi-scan
SADABS (Bruker, 2004)
θmax = 28.3°, θmin = 1.3°
Tmin = 0.832, Tmax = 0.934h = 2626
77821 measured reflectionsk = 3434
13669 independent reflectionsl = 1314
Refinement top
Refinement on F2H-atom parameters constrained
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0342P)2 + 0.7575P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.034(Δ/σ)max = 0.003
wR(F2) = 0.074Δρmax = 0.75 e Å3
S = 1.04Δρmin = 0.55 e Å3
13669 reflectionsAbsolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
649 parametersAbsolute structure parameter: 0.029 (14)
1 restraint
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*/UeqOcc. (<1)
C10.82666 (15)0.38881 (9)0.2726 (2)0.0225 (6)
C1110.72597 (12)0.52851 (9)0.0076 (2)0.0151 (5)
C1120.74924 (13)0.57576 (10)0.0376 (3)0.0199 (6)
H1120.79550.58290.03660.024*
C1130.70515 (15)0.61235 (9)0.0839 (2)0.0229 (6)
H1130.72190.64430.11440.028*
C1140.63778 (14)0.60352 (10)0.0867 (2)0.0223 (6)
C1150.61492 (14)0.55643 (10)0.0423 (3)0.0273 (6)
H1150.56860.54940.04370.033*
C1160.65796 (13)0.51948 (10)0.0039 (3)0.0223 (6)
H1160.64090.48750.03350.027*
C1170.59034 (16)0.64380 (11)0.1362 (3)0.0343 (7)
H11A0.60680.67830.11440.051*
H11B0.54640.63860.09860.051*
H11C0.5870.64070.22790.051*
C1210.77218 (12)0.49609 (9)0.2455 (2)0.0160 (5)
C1220.77769 (13)0.45696 (10)0.3349 (2)0.0165 (5)
H1220.78910.4230.30860.02*
C1230.76686 (13)0.46661 (11)0.4617 (2)0.0200 (6)
H1230.77050.43920.52070.024*
C1240.75077 (12)0.51614 (11)0.5034 (2)0.0198 (6)
C1250.74790 (13)0.55560 (11)0.4149 (3)0.0235 (6)
H1250.73870.58980.44180.028*
C1260.75820 (12)0.54602 (10)0.2882 (2)0.0197 (6)
H1260.75570.57370.22970.024*
C1270.73460 (15)0.52616 (13)0.6395 (2)0.0293 (7)
H12A0.69470.50680.6630.044*
H12B0.72670.56310.6520.044*
H12C0.77190.51510.69220.044*
C1310.86211 (11)0.50318 (8)0.0351 (2)0.0144 (5)
C1320.90536 (13)0.52863 (9)0.1158 (2)0.0178 (5)
H1320.89260.53440.20070.021*
C1330.96691 (12)0.54569 (9)0.0744 (2)0.0182 (5)
H1330.99570.5630.13120.022*
C1340.98702 (13)0.53785 (10)0.0493 (2)0.0178 (5)
C1350.94334 (13)0.51229 (9)0.1308 (2)0.0198 (5)
H1350.95610.50660.21570.024*
C1360.88235 (12)0.49525 (9)0.0901 (2)0.0178 (5)
H1360.85360.47790.1470.021*
C1371.05404 (13)0.55513 (11)0.0941 (3)0.0285 (6)
H13A1.07580.57530.02790.043*
H13B1.04890.57650.16950.043*
H13C1.08120.52490.11410.043*
C2110.92000 (13)0.34120 (9)0.1298 (2)0.0162 (5)
C2120.96510 (13)0.31515 (10)0.2066 (2)0.0226 (6)
H2120.95110.28580.25290.027*
C2131.03002 (13)0.33189 (10)0.2156 (3)0.0234 (6)
H2131.05990.31410.26950.028*
C2141.05247 (14)0.37383 (11)0.1481 (2)0.0223 (6)
C2151.00779 (13)0.39982 (10)0.0718 (3)0.0226 (6)
H2151.02230.4290.02510.027*
C2160.94244 (13)0.38387 (9)0.0629 (2)0.0190 (6)
H2160.91250.40230.01040.023*
C2171.12462 (14)0.39040 (11)0.1567 (3)0.0296 (7)
H21A1.13630.39650.24490.044*
H21B1.13110.42230.10850.044*
H21C1.15310.36320.12220.044*
C2210.80568 (12)0.29368 (9)0.2505 (2)0.0162 (5)
C2220.82792 (13)0.31205 (9)0.3667 (2)0.0195 (5)
H2220.86250.3370.36990.023*
C2230.79976 (14)0.29406 (10)0.4775 (2)0.0231 (6)
H2230.81550.30690.55570.028*
C2240.74910 (13)0.25770 (11)0.4768 (3)0.0220 (6)
C2250.72542 (13)0.24073 (10)0.3611 (2)0.0192 (5)
H2250.68950.2170.35840.023*
C2260.75344 (12)0.25799 (10)0.2493 (2)0.0183 (5)
H2260.7370.24550.17130.022*
C2270.72026 (16)0.23703 (12)0.5970 (3)0.0325 (7)
H22A0.67320.2290.58440.049*
H22B0.72470.2630.66340.049*
H22C0.74410.20560.62150.049*
C2310.84905 (11)0.26322 (9)0.0028 (2)0.0154 (5)
C2320.85843 (13)0.21346 (9)0.0481 (2)0.0218 (6)
H2320.85640.20710.1360.026*
C2330.87080 (14)0.17288 (10)0.0344 (2)0.0227 (6)
H2330.87650.1390.0020.027*
C2340.87502 (13)0.18112 (10)0.1642 (2)0.0204 (6)
C2350.86686 (14)0.23114 (11)0.2074 (2)0.0251 (6)
H2350.87050.23790.29490.03*
C2360.85353 (13)0.27152 (10)0.1261 (2)0.0218 (6)
H2360.84740.30530.15870.026*
C2370.88761 (15)0.13749 (11)0.2540 (3)0.0300 (7)
H23A0.86190.1430.3310.045*
H23B0.87410.10480.21490.045*
H23C0.9350.13610.27450.045*
C3110.56914 (12)0.39578 (8)0.0072 (3)0.0164 (5)
C3120.51979 (13)0.41423 (9)0.0865 (3)0.0215 (6)
H3120.51830.4030.17150.026*
C3130.47240 (12)0.44910 (9)0.0428 (3)0.0260 (6)
H3130.4390.46130.09850.031*
C3140.47316 (13)0.46629 (10)0.0807 (3)0.0253 (6)
C3150.52222 (14)0.44719 (10)0.1604 (3)0.0258 (6)
H3150.5230.4580.24570.031*
C3160.56972 (13)0.41285 (9)0.1179 (2)0.0211 (6)
H3160.6030.40070.17390.025*
C3170.42261 (15)0.50488 (11)0.1269 (3)0.0375 (8)
H31A0.38450.50530.06960.056*
H31B0.40780.49510.21140.056*
H31C0.44280.53930.12970.056*
C3210.61768 (12)0.29358 (9)0.0258 (2)0.0138 (5)
C3220.55334 (12)0.27673 (10)0.0515 (2)0.0186 (5)
H3220.51650.2980.03030.022*
C3230.54268 (14)0.22885 (10)0.1080 (2)0.0230 (6)
H3230.49850.2180.12510.028*
C3240.59522 (14)0.19693 (10)0.1395 (2)0.0227 (6)
C3250.65988 (13)0.21378 (10)0.1143 (2)0.0207 (6)
H3250.69660.19220.13430.025*
C3260.67059 (13)0.26162 (9)0.0604 (2)0.0166 (5)
H3260.71480.2730.04650.02*
C3270.58443 (17)0.14573 (11)0.2035 (3)0.0375 (8)
H32A0.53680.13810.20650.056*
H32B0.60740.11850.15640.056*
H32C0.60210.14720.28930.056*
C3310.61564 (12)0.33890 (9)0.2214 (2)0.0141 (5)
C3320.57251 (12)0.30001 (10)0.2582 (2)0.0185 (5)
H3320.55210.27880.19640.022*
C3330.55887 (13)0.29172 (10)0.3855 (2)0.0223 (6)
H3330.52890.26510.40920.027*
C3340.58834 (13)0.32177 (10)0.4774 (2)0.0211 (6)
C3350.63181 (14)0.36022 (10)0.4403 (2)0.0233 (6)
H3350.65250.38120.50220.028*
C3360.64564 (13)0.36863 (10)0.3149 (2)0.0205 (6)
H3360.6760.3950.29190.025*
C3370.57194 (16)0.31345 (12)0.6150 (3)0.0318 (7)
H33A0.61210.31830.66570.048*
H33B0.55510.27830.6270.048*
H33C0.5380.33830.64120.048*
N10.88128 (14)0.38966 (10)0.3059 (2)0.0366 (7)
P10.77988 (3)0.48013 (2)0.07936 (6)0.01335 (13)
P20.83497 (3)0.32014 (2)0.10202 (6)0.01494 (13)
P30.63627 (3)0.35311 (2)0.05782 (5)0.01406 (13)
S20.74797 (3)0.38711 (3)0.22632 (7)0.02514 (16)
Ag10.753625 (8)0.387431 (6)0.02367 (2)0.01341 (4)
O10.4774 (2)0.18288 (18)0.5551 (5)0.0559 (13)0.5
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0368 (18)0.0178 (14)0.0130 (13)0.0061 (12)0.0017 (11)0.0035 (10)
C1110.0178 (12)0.0154 (11)0.0122 (12)0.0003 (9)0.0004 (10)0.0001 (10)
C1120.0202 (15)0.0157 (13)0.0238 (14)0.0024 (11)0.0011 (10)0.0016 (11)
C1130.0337 (17)0.0159 (13)0.0192 (14)0.0001 (11)0.0029 (11)0.0038 (10)
C1140.0265 (15)0.0225 (14)0.0181 (14)0.0061 (11)0.0046 (11)0.0021 (10)
C1150.0188 (15)0.0258 (15)0.0372 (16)0.0018 (12)0.0056 (12)0.0010 (12)
C1160.0214 (13)0.0151 (12)0.0304 (16)0.0042 (10)0.0036 (11)0.0002 (11)
C1170.0336 (19)0.0292 (16)0.0400 (18)0.0098 (14)0.0084 (14)0.0053 (13)
C1210.0139 (12)0.0185 (13)0.0156 (12)0.0021 (10)0.0015 (10)0.0023 (10)
C1220.0135 (13)0.0180 (13)0.0181 (13)0.0016 (10)0.0010 (10)0.0023 (10)
C1230.0171 (13)0.0236 (15)0.0193 (13)0.0013 (11)0.0026 (10)0.0043 (11)
C1240.0157 (12)0.0307 (14)0.0131 (17)0.0067 (11)0.0001 (10)0.0036 (11)
C1250.0256 (15)0.0213 (14)0.0237 (16)0.0002 (12)0.0008 (11)0.0073 (12)
C1260.0229 (15)0.0176 (13)0.0187 (14)0.0028 (11)0.0002 (10)0.0004 (10)
C1270.0295 (17)0.042 (2)0.0166 (15)0.0070 (14)0.0022 (11)0.0036 (12)
C1310.0145 (11)0.0102 (10)0.0185 (13)0.0008 (8)0.0005 (11)0.0027 (10)
C1320.0215 (14)0.0151 (12)0.0169 (12)0.0003 (10)0.0017 (10)0.0026 (10)
C1330.0157 (13)0.0188 (13)0.0202 (13)0.0037 (10)0.0029 (10)0.0022 (10)
C1340.0165 (14)0.0208 (13)0.0163 (13)0.0007 (11)0.0023 (10)0.0017 (10)
C1350.0197 (14)0.0216 (13)0.0181 (13)0.0016 (11)0.0022 (10)0.0009 (10)
C1360.0196 (14)0.0162 (12)0.0177 (13)0.0018 (10)0.0016 (10)0.0020 (10)
C1370.0211 (15)0.0384 (17)0.0259 (15)0.0073 (13)0.0034 (12)0.0025 (13)
C2110.0157 (13)0.0143 (12)0.0186 (13)0.0018 (10)0.0006 (10)0.0023 (9)
C2120.0209 (15)0.0198 (14)0.0271 (15)0.0007 (11)0.0025 (11)0.0051 (11)
C2130.0188 (14)0.0229 (14)0.0284 (15)0.0023 (12)0.0052 (11)0.0017 (11)
C2140.0179 (14)0.0209 (14)0.0282 (15)0.0003 (11)0.0022 (11)0.0095 (11)
C2150.0222 (14)0.0168 (13)0.0289 (14)0.0025 (11)0.0036 (11)0.0017 (11)
C2160.0182 (13)0.0144 (12)0.0243 (15)0.0030 (10)0.0006 (10)0.0020 (10)
C2170.0176 (16)0.0324 (18)0.0388 (18)0.0028 (12)0.0024 (12)0.0051 (13)
C2210.0162 (13)0.0166 (13)0.0158 (12)0.0038 (10)0.0012 (10)0.0021 (9)
C2220.0223 (14)0.0161 (13)0.0202 (14)0.0035 (11)0.0017 (10)0.0033 (10)
C2230.0282 (16)0.0238 (14)0.0173 (13)0.0057 (12)0.0013 (10)0.0028 (10)
C2240.0240 (15)0.0222 (15)0.0197 (13)0.0101 (12)0.0039 (10)0.0016 (10)
C2250.0166 (13)0.0176 (13)0.0233 (14)0.0023 (11)0.0013 (11)0.0056 (10)
C2260.0181 (14)0.0183 (13)0.0185 (14)0.0047 (10)0.0029 (10)0.0009 (10)
C2270.0353 (18)0.0426 (18)0.0197 (15)0.0053 (15)0.0066 (13)0.0074 (13)
C2310.0116 (11)0.0166 (12)0.0181 (14)0.0001 (9)0.0009 (9)0.0020 (10)
C2320.0241 (14)0.0212 (13)0.0201 (14)0.0016 (11)0.0015 (10)0.0002 (10)
C2330.0270 (16)0.0137 (13)0.0275 (15)0.0030 (11)0.0016 (12)0.0001 (10)
C2340.0155 (14)0.0209 (14)0.0248 (14)0.0030 (11)0.0030 (10)0.0051 (11)
C2350.0289 (17)0.0298 (16)0.0166 (13)0.0039 (12)0.0011 (11)0.0026 (11)
C2360.0291 (16)0.0180 (13)0.0183 (14)0.0063 (11)0.0026 (11)0.0028 (10)
C2370.0297 (17)0.0309 (16)0.0293 (16)0.0031 (13)0.0013 (13)0.0082 (13)
C3110.0133 (11)0.0120 (11)0.0239 (15)0.0028 (9)0.0028 (11)0.0005 (11)
C3120.0196 (14)0.0183 (13)0.0267 (14)0.0018 (11)0.0001 (11)0.0014 (11)
C3130.0170 (13)0.0174 (13)0.0435 (19)0.0027 (10)0.0024 (12)0.0002 (12)
C3140.0175 (14)0.0170 (13)0.0414 (17)0.0002 (11)0.0058 (12)0.0051 (12)
C3150.0271 (16)0.0245 (15)0.0257 (15)0.0012 (12)0.0092 (12)0.0050 (11)
C3160.0221 (14)0.0200 (13)0.0213 (14)0.0003 (11)0.0034 (11)0.0008 (11)
C3170.0274 (17)0.0265 (16)0.059 (2)0.0014 (13)0.0056 (15)0.0129 (15)
C3210.0157 (13)0.0140 (12)0.0119 (11)0.0015 (10)0.0003 (9)0.0011 (9)
C3220.0132 (13)0.0224 (14)0.0202 (13)0.0008 (11)0.0005 (10)0.0003 (10)
C3230.0226 (14)0.0288 (14)0.0176 (13)0.0101 (12)0.0012 (11)0.0020 (11)
C3240.0335 (17)0.0198 (14)0.0149 (13)0.0081 (12)0.0048 (11)0.0029 (10)
C3250.0275 (15)0.0204 (13)0.0142 (13)0.0030 (11)0.0053 (11)0.0002 (10)
C3260.0163 (13)0.0214 (13)0.0120 (12)0.0014 (11)0.0003 (9)0.0018 (9)
C3270.046 (2)0.0283 (17)0.0378 (19)0.0133 (15)0.0094 (15)0.0153 (13)
C3310.0122 (12)0.0155 (12)0.0148 (12)0.0028 (10)0.0003 (9)0.0010 (9)
C3320.0191 (14)0.0211 (14)0.0153 (13)0.0016 (11)0.0023 (10)0.0032 (10)
C3330.0215 (15)0.0234 (14)0.0219 (14)0.0009 (11)0.0035 (11)0.0007 (11)
C3340.0198 (15)0.0251 (14)0.0185 (13)0.0086 (12)0.0013 (10)0.0012 (10)
C3350.0281 (16)0.0216 (14)0.0203 (14)0.0035 (12)0.0044 (11)0.0074 (11)
C3360.0201 (14)0.0200 (14)0.0212 (14)0.0010 (11)0.0024 (10)0.0021 (11)
C3370.0340 (18)0.0415 (18)0.0198 (15)0.0062 (14)0.0017 (13)0.0032 (12)
N10.0367 (17)0.0470 (17)0.0262 (14)0.0089 (13)0.0059 (12)0.0056 (11)
P10.0145 (3)0.0119 (3)0.0136 (3)0.0006 (3)0.0002 (2)0.0001 (2)
P20.0151 (3)0.0138 (3)0.0159 (3)0.0014 (3)0.0013 (2)0.0002 (2)
P30.0134 (3)0.0137 (3)0.0151 (3)0.0007 (2)0.0003 (2)0.0007 (2)
S20.0269 (4)0.0354 (4)0.0131 (3)0.0023 (3)0.0014 (3)0.0012 (3)
Ag10.01428 (8)0.01216 (8)0.01380 (8)0.00035 (7)0.00021 (8)0.00003 (8)
O10.052 (3)0.059 (3)0.057 (3)0.015 (2)0.010 (2)0.015 (2)
Geometric parameters (Å, º) top
C1—N11.155 (4)C225—C2261.390 (4)
C1—S21.660 (3)C225—H2250.95
C111—C1161.390 (3)C226—H2260.95
C111—C1121.396 (3)C227—H22A0.98
C111—P11.825 (2)C227—H22B0.98
C112—C1131.389 (4)C227—H22C0.98
C112—H1120.95C231—C2321.389 (3)
C113—C1141.376 (4)C231—C2361.391 (3)
C113—H1130.95C231—P21.835 (2)
C114—C1151.386 (4)C232—C2331.392 (3)
C114—C1171.510 (4)C232—H2320.95
C115—C1161.381 (4)C233—C2341.400 (4)
C115—H1150.95C233—H2330.95
C116—H1160.95C234—C2351.384 (4)
C117—H11A0.98C234—C2371.501 (4)
C117—H11B0.98C235—C2361.383 (4)
C117—H11C0.98C235—H2350.95
C121—C1221.394 (3)C236—H2360.95
C121—C1261.399 (3)C237—H23A0.98
C121—P11.821 (2)C237—H23B0.98
C122—C1231.389 (3)C237—H23C0.98
C122—H1220.95C311—C3121.388 (4)
C123—C1241.396 (4)C311—C3161.402 (4)
C123—H1230.95C311—P31.827 (2)
C124—C1251.391 (4)C312—C3131.394 (3)
C124—C1271.507 (4)C312—H3120.95
C125—C1261.386 (4)C313—C3141.387 (4)
C125—H1250.95C313—H3130.95
C126—H1260.95C314—C3151.392 (4)
C127—H12A0.98C314—C3171.509 (4)
C127—H12B0.98C315—C3161.382 (4)
C127—H12C0.98C315—H3150.95
C131—C1321.390 (3)C316—H3160.95
C131—C1361.407 (4)C317—H31A0.98
C131—P11.822 (2)C317—H31B0.98
C132—C1331.388 (3)C317—H31C0.98
C132—H1320.95C321—C3221.394 (3)
C133—C1341.391 (3)C321—C3261.398 (3)
C133—H1330.95C321—P31.819 (2)
C134—C1351.401 (4)C322—C3231.394 (4)
C134—C1371.500 (4)C322—H3220.95
C135—C1361.375 (3)C323—C3241.384 (4)
C135—H1350.95C323—H3230.95
C136—H1360.95C324—C3251.399 (4)
C137—H13A0.98C324—C3271.506 (4)
C137—H13B0.98C325—C3261.382 (3)
C137—H13C0.98C325—H3250.95
C211—C2161.390 (3)C326—H3260.95
C211—C2121.396 (3)C327—H32A0.98
C211—P21.821 (3)C327—H32B0.98
C212—C2131.380 (4)C327—H32C0.98
C212—H2120.95C331—C3321.386 (3)
C213—C2141.379 (4)C331—C3361.395 (3)
C213—H2130.95C331—P31.827 (2)
C214—C2151.386 (4)C332—C3331.399 (4)
C214—C2171.517 (4)C332—H3320.95
C215—C2161.382 (4)C333—C3341.383 (4)
C215—H2150.95C333—H3330.95
C216—H2160.95C334—C3351.383 (4)
C217—H21A0.98C334—C3371.516 (4)
C217—H21B0.98C335—C3361.379 (4)
C217—H21C0.98C335—H3350.95
C221—C2221.399 (3)C336—H3360.95
C221—C2261.400 (3)C337—H33A0.98
C221—P21.819 (2)C337—H33B0.98
C222—C2231.388 (4)C337—H33C0.98
C222—H2220.95P1—Ag12.5287 (6)
C223—C2241.388 (4)P2—Ag12.5325 (7)
C223—H2230.95P3—Ag12.5504 (8)
C224—C2251.391 (4)S2—Ag12.6613 (7)
C224—C2271.502 (4)
N1—C1—S2179.3 (3)C232—C231—C236118.4 (2)
C116—C111—C112118.0 (2)C232—C231—P2124.57 (18)
C116—C111—P1118.82 (18)C236—C231—P2116.91 (18)
C112—C111—P1123.11 (19)C231—C232—C233120.4 (2)
C113—C112—C111120.4 (2)C231—C232—H232119.8
C113—C112—H112119.8C233—C232—H232119.8
C111—C112—H112119.8C232—C233—C234121.2 (2)
C114—C113—C112121.6 (2)C232—C233—H233119.4
C114—C113—H113119.2C234—C233—H233119.4
C112—C113—H113119.2C235—C234—C233117.6 (2)
C113—C114—C115117.8 (2)C235—C234—C237120.9 (2)
C113—C114—C117121.1 (2)C233—C234—C237121.5 (2)
C115—C114—C117121.1 (3)C236—C235—C234121.6 (2)
C116—C115—C114121.5 (3)C236—C235—H235119.2
C116—C115—H115119.3C234—C235—H235119.2
C114—C115—H115119.3C235—C236—C231120.8 (2)
C115—C116—C111120.8 (2)C235—C236—H236119.6
C115—C116—H116119.6C231—C236—H236119.6
C111—C116—H116119.6C234—C237—H23A109.5
C114—C117—H11A109.5C234—C237—H23B109.5
C114—C117—H11B109.5H23A—C237—H23B109.5
H11A—C117—H11B109.5C234—C237—H23C109.5
C114—C117—H11C109.5H23A—C237—H23C109.5
H11A—C117—H11C109.5H23B—C237—H23C109.5
H11B—C117—H11C109.5C312—C311—C316118.3 (2)
C122—C121—C126117.8 (2)C312—C311—P3123.9 (2)
C122—C121—P1119.36 (19)C316—C311—P3117.67 (19)
C126—C121—P1122.82 (19)C311—C312—C313120.7 (3)
C123—C122—C121121.3 (2)C311—C312—H312119.7
C123—C122—H122119.4C313—C312—H312119.7
C121—C122—H122119.4C314—C313—C312121.1 (3)
C122—C123—C124120.7 (2)C314—C313—H313119.5
C122—C123—H123119.7C312—C313—H313119.5
C124—C123—H123119.7C313—C314—C315118.1 (2)
C125—C124—C123118.0 (2)C313—C314—C317120.9 (3)
C125—C124—C127121.0 (3)C315—C314—C317121.0 (3)
C123—C124—C127120.9 (3)C316—C315—C314121.4 (3)
C126—C125—C124121.4 (3)C316—C315—H315119.3
C126—C125—H125119.3C314—C315—H315119.3
C124—C125—H125119.3C315—C316—C311120.5 (2)
C125—C126—C121120.8 (3)C315—C316—H316119.8
C125—C126—H126119.6C311—C316—H316119.8
C121—C126—H126119.6C314—C317—H31A109.5
C124—C127—H12A109.5C314—C317—H31B109.5
C124—C127—H12B109.5H31A—C317—H31B109.5
H12A—C127—H12B109.5C314—C317—H31C109.5
C124—C127—H12C109.5H31A—C317—H31C109.5
H12A—C127—H12C109.5H31B—C317—H31C109.5
H12B—C127—H12C109.5C322—C321—C326118.1 (2)
C132—C131—C136118.2 (2)C322—C321—P3123.52 (19)
C132—C131—P1124.4 (2)C326—C321—P3118.26 (18)
C136—C131—P1117.39 (18)C321—C322—C323120.4 (2)
C133—C132—C131121.0 (2)C321—C322—H322119.8
C133—C132—H132119.5C323—C322—H322119.8
C131—C132—H132119.5C324—C323—C322121.2 (2)
C132—C133—C134120.9 (2)C324—C323—H323119.4
C132—C133—H133119.5C322—C323—H323119.4
C134—C133—H133119.5C323—C324—C325118.6 (2)
C133—C134—C135118.1 (2)C323—C324—C327121.7 (3)
C133—C134—C137121.2 (2)C325—C324—C327119.7 (3)
C135—C134—C137120.6 (2)C326—C325—C324120.3 (2)
C136—C135—C134121.2 (2)C326—C325—H325119.9
C136—C135—H135119.4C324—C325—H325119.9
C134—C135—H135119.4C325—C326—C321121.4 (2)
C135—C136—C131120.6 (2)C325—C326—H326119.3
C135—C136—H136119.7C321—C326—H326119.3
C131—C136—H136119.7C324—C327—H32A109.5
C134—C137—H13A109.5C324—C327—H32B109.5
C134—C137—H13B109.5H32A—C327—H32B109.5
H13A—C137—H13B109.5C324—C327—H32C109.5
C134—C137—H13C109.5H32A—C327—H32C109.5
H13A—C137—H13C109.5H32B—C327—H32C109.5
H13B—C137—H13C109.5C332—C331—C336118.1 (2)
C216—C211—C212118.2 (2)C332—C331—P3123.88 (18)
C216—C211—P2117.44 (19)C336—C331—P3117.99 (19)
C212—C211—P2124.2 (2)C331—C332—C333120.5 (2)
C213—C212—C211120.3 (2)C331—C332—H332119.8
C213—C212—H212119.8C333—C332—H332119.8
C211—C212—H212119.8C334—C333—C332120.9 (2)
C214—C213—C212121.4 (2)C334—C333—H333119.5
C214—C213—H213119.3C332—C333—H333119.5
C212—C213—H213119.3C333—C334—C335118.3 (2)
C213—C214—C215118.4 (3)C333—C334—C337120.6 (3)
C213—C214—C217120.4 (3)C335—C334—C337121.1 (2)
C215—C214—C217121.3 (3)C336—C335—C334121.2 (2)
C216—C215—C214120.9 (2)C336—C335—H335119.4
C216—C215—H215119.6C334—C335—H335119.4
C214—C215—H215119.6C335—C336—C331120.9 (3)
C215—C216—C211120.8 (2)C335—C336—H336119.5
C215—C216—H216119.6C331—C336—H336119.5
C211—C216—H216119.6C334—C337—H33A109.5
C214—C217—H21A109.5C334—C337—H33B109.5
C214—C217—H21B109.5H33A—C337—H33B109.5
H21A—C217—H21B109.5C334—C337—H33C109.5
C214—C217—H21C109.5H33A—C337—H33C109.5
H21A—C217—H21C109.5H33B—C337—H33C109.5
H21B—C217—H21C109.5C121—P1—C131104.71 (12)
C222—C221—C226118.2 (2)C121—P1—C111101.50 (11)
C222—C221—P2122.37 (19)C131—P1—C111101.96 (11)
C226—C221—P2118.96 (19)C121—P1—Ag1115.15 (8)
C223—C222—C221120.4 (2)C131—P1—Ag1116.14 (8)
C223—C222—H222119.8C111—P1—Ag1115.43 (8)
C221—C222—H222119.8C221—P2—C211106.08 (11)
C224—C223—C222121.5 (2)C221—P2—C231104.26 (11)
C224—C223—H223119.2C211—P2—C231100.86 (11)
C222—C223—H223119.2C221—P2—Ag1109.58 (8)
C223—C224—C225118.1 (2)C211—P2—Ag1117.08 (8)
C223—C224—C227121.4 (2)C231—P2—Ag1117.63 (8)
C225—C224—C227120.5 (3)C321—P3—C331104.39 (11)
C226—C225—C224121.1 (3)C321—P3—C311102.48 (11)
C226—C225—H225119.5C331—P3—C311103.56 (12)
C224—C225—H225119.5C321—P3—Ag1114.61 (8)
C225—C226—C221120.6 (2)C331—P3—Ag1114.62 (8)
C225—C226—H226119.7C311—P3—Ag1115.63 (8)
C221—C226—H226119.7C1—S2—Ag1104.81 (10)
C224—C227—H22A109.5P1—Ag1—P2116.17 (2)
C224—C227—H22B109.5P1—Ag1—P3119.42 (2)
H22A—C227—H22B109.5P2—Ag1—P3108.20 (2)
C224—C227—H22C109.5P1—Ag1—S2104.24 (2)
H22A—C227—H22C109.5P2—Ag1—S2110.75 (2)
H22B—C227—H22C109.5P3—Ag1—S295.83 (2)
C116—C111—C112—C1130.3 (4)C332—C331—C336—C3351.2 (4)
P1—C111—C112—C113175.8 (2)P3—C331—C336—C335179.4 (2)
C111—C112—C113—C1140.1 (4)C122—C121—P1—C131105.0 (2)
C112—C113—C114—C1150.4 (4)C126—C121—P1—C13177.7 (2)
C112—C113—C114—C117179.5 (3)C122—C121—P1—C111149.2 (2)
C113—C114—C115—C1160.3 (4)C126—C121—P1—C11128.1 (2)
C117—C114—C115—C116179.6 (3)C122—C121—P1—Ag123.8 (2)
C114—C115—C116—C1110.1 (4)C126—C121—P1—Ag1153.55 (19)
C112—C111—C116—C1150.4 (4)C132—C131—P1—C1211.9 (2)
P1—C111—C116—C115175.9 (2)C136—C131—P1—C121179.13 (18)
C126—C121—C122—C1232.7 (4)C132—C131—P1—C111103.5 (2)
P1—C121—C122—C123174.8 (2)C136—C131—P1—C11175.42 (19)
C121—C122—C123—C1240.7 (4)C132—C131—P1—Ag1130.13 (18)
C122—C123—C124—C1251.9 (4)C136—C131—P1—Ag150.94 (19)
C122—C123—C124—C127176.0 (2)C116—C111—P1—C12182.3 (2)
C123—C124—C125—C1262.4 (4)C112—C111—P1—C12193.8 (2)
C127—C124—C125—C126175.5 (2)C116—C111—P1—C131169.7 (2)
C124—C125—C126—C1210.3 (4)C112—C111—P1—C13114.1 (2)
C122—C121—C126—C1252.2 (4)C116—C111—P1—Ag142.9 (2)
P1—C121—C126—C125175.2 (2)C112—C111—P1—Ag1140.96 (19)
C136—C131—C132—C1330.1 (4)C222—C221—P2—C21131.2 (2)
P1—C131—C132—C133179.06 (18)C226—C221—P2—C211156.55 (19)
C131—C132—C133—C1340.1 (4)C222—C221—P2—C231137.2 (2)
C132—C133—C134—C1350.0 (4)C226—C221—P2—C23150.6 (2)
C132—C133—C134—C137178.6 (2)C222—C221—P2—Ag196.1 (2)
C133—C134—C135—C1360.1 (4)C226—C221—P2—Ag176.2 (2)
C137—C134—C135—C136178.6 (2)C216—C211—P2—C221147.78 (19)
C134—C135—C136—C1310.1 (4)C212—C211—P2—C22137.0 (2)
C132—C131—C136—C1350.0 (3)C216—C211—P2—C231103.8 (2)
P1—C131—C136—C135179.03 (19)C212—C211—P2—C23171.5 (2)
C216—C211—C212—C2130.3 (4)C216—C211—P2—Ag125.2 (2)
P2—C211—C212—C213175.6 (2)C212—C211—P2—Ag1159.60 (19)
C211—C212—C213—C2141.2 (4)C232—C231—P2—C22120.8 (2)
C212—C213—C214—C2151.2 (4)C236—C231—P2—C221162.3 (2)
C212—C213—C214—C217178.1 (2)C232—C231—P2—C21189.1 (2)
C213—C214—C215—C2160.5 (4)C236—C231—P2—C21187.9 (2)
C217—C214—C215—C216178.8 (2)C232—C231—P2—Ag1142.33 (19)
C214—C215—C216—C2110.3 (4)C236—C231—P2—Ag140.7 (2)
C212—C211—C216—C2150.4 (4)C322—C321—P3—C33173.8 (2)
P2—C211—C216—C215175.17 (19)C326—C321—P3—C331102.64 (19)
C226—C221—C222—C2231.7 (4)C322—C321—P3—C31134.0 (2)
P2—C221—C222—C223174.03 (19)C326—C321—P3—C311149.62 (19)
C221—C222—C223—C2240.1 (4)C322—C321—P3—Ag1160.02 (18)
C222—C223—C224—C2252.1 (4)C326—C321—P3—Ag123.6 (2)
C222—C223—C224—C227178.0 (3)C332—C331—P3—C32122.0 (2)
C223—C224—C225—C2262.6 (4)C336—C331—P3—C321157.3 (2)
C227—C224—C225—C226177.4 (2)C332—C331—P3—C31184.9 (2)
C224—C225—C226—C2211.1 (4)C336—C331—P3—C31195.8 (2)
C222—C221—C226—C2251.1 (4)C332—C331—P3—Ag1148.21 (19)
P2—C221—C226—C225173.72 (19)C336—C331—P3—Ag131.1 (2)
C236—C231—C232—C2331.1 (4)C312—C311—P3—C321113.4 (2)
P2—C231—C232—C233178.0 (2)C316—C311—P3—C32170.0 (2)
C231—C232—C233—C2340.9 (4)C312—C311—P3—C3315.0 (2)
C232—C233—C234—C2350.4 (4)C316—C311—P3—C331178.39 (19)
C232—C233—C234—C237179.3 (2)C312—C311—P3—Ag1121.25 (19)
C233—C234—C235—C2361.4 (4)C316—C311—P3—Ag155.4 (2)
C237—C234—C235—C236178.3 (3)N1—C1—S2—Ag114E1 (10)
C234—C235—C236—C2311.2 (4)C121—P1—Ag1—P268.68 (10)
C232—C231—C236—C2350.1 (4)C131—P1—Ag1—P254.20 (10)
P2—C231—C236—C235177.3 (2)C111—P1—Ag1—P2173.47 (9)
C316—C311—C312—C3130.4 (4)C121—P1—Ag1—P363.91 (10)
P3—C311—C312—C313176.18 (19)C131—P1—Ag1—P3173.21 (9)
C311—C312—C313—C3140.0 (4)C111—P1—Ag1—P353.94 (9)
C312—C313—C314—C3150.8 (4)C121—P1—Ag1—S2169.18 (9)
C312—C313—C314—C317178.7 (2)C131—P1—Ag1—S267.94 (9)
C313—C314—C315—C3161.2 (4)C111—P1—Ag1—S251.33 (9)
C317—C314—C315—C316178.3 (3)C221—P2—Ag1—P195.04 (9)
C314—C315—C316—C3110.8 (4)C211—P2—Ag1—P125.76 (9)
C312—C311—C316—C3150.0 (4)C231—P2—Ag1—P1146.19 (9)
P3—C311—C316—C315176.8 (2)C221—P2—Ag1—P342.50 (9)
C326—C321—C322—C3231.1 (3)C211—P2—Ag1—P3163.30 (9)
P3—C321—C322—C323175.33 (18)C231—P2—Ag1—P376.27 (9)
C321—C322—C323—C3240.2 (4)C221—P2—Ag1—S2146.32 (9)
C322—C323—C324—C3250.4 (4)C211—P2—Ag1—S292.87 (9)
C322—C323—C324—C327178.5 (2)C231—P2—Ag1—S227.56 (9)
C323—C324—C325—C3260.8 (4)C321—P3—Ag1—P1163.11 (8)
C327—C324—C325—C326177.3 (2)C331—P3—Ag1—P176.18 (9)
C324—C325—C326—C3212.2 (4)C311—P3—Ag1—P144.21 (10)
C322—C321—C326—C3252.3 (3)C321—P3—Ag1—P260.96 (9)
P3—C321—C326—C325174.31 (18)C331—P3—Ag1—P259.74 (9)
C336—C331—C332—C3331.1 (4)C311—P3—Ag1—P2179.87 (10)
P3—C331—C332—C333179.58 (19)C321—P3—Ag1—S253.15 (9)
C331—C332—C333—C3340.5 (4)C331—P3—Ag1—S2173.85 (9)
C332—C333—C334—C3350.1 (4)C311—P3—Ag1—S265.76 (10)
C332—C333—C334—C337178.4 (2)C1—S2—Ag1—P176.54 (9)
C333—C334—C335—C3360.0 (4)C1—S2—Ag1—P249.10 (10)
C337—C334—C335—C336178.5 (3)C1—S2—Ag1—P3161.09 (9)
C334—C335—C336—C3310.7 (4)
(III) top
Crystal data top
C63H63AgP3+·C3H6O·ClO4Dx = 1.329 Mg m3
Mr = 1178.44Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pna21Cell parameters from 7165 reflections
a = 19.8625 (8) Åθ = 1.3–28.4°
b = 25.3785 (9) ŵ = 0.52 mm1
c = 11.6858 (5) ÅT = 100 K
V = 5890.6 (4) Å3Cuboid, white
Z = 40.31 × 0.26 × 0.24 mm
F(000) = 2456
Data collection top
CCD area detector
diffractometer
6860 reflections with I > 2σ(I)
phi and ω scansRint = 0.045
Absorption correction: multi-scan
SADABS (Bruker, 2004)
θmax = 28.4°, θmin = 1.3°
Tmin = 0.856, Tmax = 0.886h = 2619
27027 measured reflectionsk = 1633
7691 independent reflectionsl = 1115
Refinement top
Refinement on F2H-atom parameters constrained
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0647P)2 + 2.2152P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.040(Δ/σ)max = 0.002
wR(F2) = 0.109Δρmax = 1.10 e Å3
S = 1.04Δρmin = 0.95 e Å3
7691 reflectionsAbsolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
704 parametersAbsolute structure parameter: 0.08 (3)
30 restraints
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*/UeqOcc. (<1)
Ag10.770722 (13)0.128536 (10)0.80882 (3)0.01687 (8)
P10.68328 (6)0.19361 (4)0.75282 (10)0.0189 (2)
P20.88769 (5)0.15764 (4)0.84181 (10)0.0176 (2)
P30.73376 (5)0.03615 (4)0.79733 (12)0.0158 (2)
Cl10.61125 (10)0.13702 (7)0.27416 (13)0.0529 (4)
O010.5983 (4)0.1914 (2)0.3025 (6)0.097 (2)
O02A0.5599 (16)0.1094 (9)0.326 (3)0.276 (10)0.25
O03A0.6685 (18)0.1280 (10)0.356 (4)0.099 (4)0.45
O04A0.601 (2)0.1331 (14)0.1553 (12)0.081 (4)0.25
O02B0.5557 (7)0.1097 (6)0.2960 (9)0.276 (10)0.75
O03B0.6677 (14)0.1250 (9)0.337 (3)0.099 (4)0.55
O04B0.6302 (6)0.1408 (4)0.1569 (6)0.081 (4)0.75
O0020.8646 (2)0.09024 (18)0.2722 (4)0.0477 (11)
C0010.7852 (4)0.0803 (4)0.1257 (6)0.065 (2)
H01A0.80620.04550.1180.097*
H01B0.78730.09880.05220.097*
H01C0.7380.07610.14870.097*
C0020.8221 (3)0.1117 (3)0.2152 (5)0.0439 (15)
C0030.8067 (4)0.1688 (3)0.2271 (8)0.067 (2)
H03A0.83930.18510.27910.1*
H03B0.76120.17310.25820.1*
H03C0.80940.18580.1520.1*
C1110.6645 (2)0.24153 (17)0.8646 (4)0.0197 (9)
C1120.6484 (2)0.29421 (16)0.8418 (4)0.0207 (9)
H1120.64690.30640.7650.025*
C1130.6345 (2)0.32867 (18)0.9308 (4)0.0226 (9)
H1130.62380.36430.91410.027*
C1140.6360 (2)0.31173 (18)1.0452 (4)0.0192 (9)
C1150.6516 (2)0.25909 (19)1.0665 (4)0.0235 (10)
H1150.65220.24661.14310.028*
C1160.6663 (2)0.22468 (19)0.9775 (4)0.0251 (10)
H1160.67770.18920.99420.03*
C1170.6187 (3)0.3491 (2)1.1413 (5)0.0315 (11)
H11A0.57070.34611.15960.047*
H11B0.62870.38541.11760.047*
H11C0.64550.34031.2090.047*
C1210.7123 (2)0.23286 (18)0.6316 (4)0.0215 (9)
C1220.7756 (2)0.25563 (19)0.6419 (5)0.0272 (11)
H1220.80.25220.71150.033*
C1230.8034 (3)0.2833 (2)0.5515 (5)0.0327 (12)
H1230.84640.29910.56050.039*
C1240.7700 (3)0.2884 (2)0.4483 (5)0.0346 (13)
C1250.7070 (3)0.2665 (2)0.4384 (5)0.0359 (12)
H1250.68290.27030.36860.043*
C1260.6776 (3)0.2389 (2)0.5290 (5)0.0293 (11)
H1260.63390.22420.52060.035*
C1270.8015 (4)0.3174 (2)0.3483 (6)0.0473 (16)
H12A0.81830.29190.29230.071*
H12B0.8390.33920.37580.071*
H12C0.76770.340.31210.071*
C1310.6018 (2)0.16513 (17)0.7151 (4)0.0217 (9)
C1320.5478 (2)0.16802 (17)0.7900 (4)0.0232 (10)
H1320.55210.18730.85930.028*
C1330.4873 (3)0.14277 (19)0.7641 (5)0.0275 (10)
H1330.45080.14460.81660.033*
C1340.4798 (2)0.11505 (19)0.6630 (5)0.0278 (11)
C1350.5334 (2)0.1125 (2)0.5873 (5)0.0272 (10)
H1350.52840.09430.51680.033*
C1360.5949 (2)0.13659 (18)0.6143 (5)0.0249 (10)
H1360.6320.13340.56340.03*
C1370.4146 (3)0.0869 (2)0.6349 (6)0.0389 (13)
H13A0.4150.05170.66940.058*
H13B0.410.08360.55160.058*
H13C0.37650.10710.66530.058*
C2110.9184 (2)0.17807 (17)0.7017 (4)0.0187 (9)
C2120.9609 (2)0.22019 (19)0.6857 (4)0.0235 (10)
H2120.9770.23920.75010.028*
C2130.9805 (2)0.2352 (2)0.5767 (5)0.0262 (10)
H2131.00870.2650.56710.031*
C2140.9591 (3)0.2068 (2)0.4806 (4)0.0283 (11)
C2150.9176 (2)0.1640 (2)0.4973 (4)0.0275 (10)
H2150.90330.14380.43330.033*
C2160.8964 (2)0.14999 (18)0.6059 (4)0.0222 (9)
H2160.86670.1210.61550.027*
C2170.9812 (3)0.2222 (3)0.3624 (5)0.0462 (15)
H21A0.96990.19390.30860.069*
H21B1.02990.22810.36190.069*
H21C0.95810.25460.33940.069*
C2210.9494 (2)0.10948 (17)0.8932 (4)0.0183 (8)
C2220.99060 (18)0.08134 (15)0.8180 (5)0.0193 (8)
H2220.98980.08910.73850.023*
C2231.0329 (2)0.04185 (17)0.8596 (4)0.0228 (9)
H2231.06120.02330.8080.027*
C2241.0344 (2)0.02942 (17)0.9738 (5)0.0229 (10)
C2250.9937 (2)0.05766 (19)1.0488 (4)0.0263 (10)
H2250.99490.04981.12830.032*
C2260.9514 (2)0.0972 (2)1.0091 (4)0.0258 (10)
H2260.92360.11591.06130.031*
C2271.0801 (3)0.0135 (2)1.0193 (5)0.0330 (12)
H22A1.09860.03370.95510.049*
H22B1.05420.03711.06920.049*
H22C1.1170.00241.06290.049*
C2310.8995 (2)0.21398 (17)0.9351 (4)0.0194 (9)
C2320.9614 (2)0.22777 (19)0.9834 (4)0.0225 (10)
H2320.99970.20610.97060.027*
C2330.9675 (2)0.27307 (19)1.0501 (4)0.0251 (10)
H2331.00980.28141.08360.03*
C2340.9123 (3)0.30655 (19)1.0685 (5)0.0286 (11)
C2350.8506 (3)0.29210 (18)1.0211 (5)0.0282 (11)
H2350.81240.31381.03340.034*
C2360.8440 (2)0.24688 (18)0.9567 (4)0.0240 (10)
H2360.80120.23780.92630.029*
C2370.9203 (3)0.3562 (2)1.1368 (6)0.0418 (15)
H23A0.96710.35941.16260.063*
H23B0.89040.35511.20350.063*
H23C0.90870.38661.0890.063*
C3110.7805 (2)0.01189 (16)0.8820 (4)0.0161 (8)
C3120.7494 (3)0.04657 (19)0.9584 (4)0.0191 (9)
H3120.7020.04550.9690.023*
C3130.7883 (2)0.08271 (18)1.0189 (4)0.0233 (9)
H3130.76690.10631.07060.028*
C3140.8576 (2)0.08507 (17)1.0053 (4)0.0217 (9)
C3150.8877 (2)0.05049 (18)0.9285 (5)0.0260 (10)
H3150.9350.05190.91730.031*
C3160.8499 (2)0.01392 (17)0.8679 (4)0.0227 (9)
H3160.87150.00980.81680.027*
C3170.8987 (3)0.1239 (2)1.0733 (5)0.0339 (12)
H31A0.89370.11641.15510.051*
H31B0.94620.12071.05170.051*
H31C0.8830.15971.05730.051*
C3210.6463 (2)0.02764 (16)0.8391 (4)0.0181 (9)
C3220.6021 (2)0.00361 (19)0.7785 (4)0.0241 (10)
H3220.61730.02240.71310.029*
C3230.5347 (2)0.00778 (18)0.8130 (5)0.0268 (9)
H3230.50450.02910.77010.032*
C3240.5114 (2)0.01883 (18)0.9087 (4)0.0236 (10)
C3250.5571 (2)0.04928 (19)0.9704 (4)0.0265 (10)
H3250.54230.0671.03750.032*
C3260.6238 (2)0.05433 (18)0.9360 (4)0.0221 (9)
H3260.6540.07590.97840.027*
C3270.4383 (3)0.0164 (2)0.9431 (6)0.0366 (13)
H32A0.4350.00971.02550.055*
H32B0.41590.01210.90120.055*
H32C0.41640.050.92490.055*
C3310.7400 (2)0.00972 (18)0.6533 (4)0.0192 (9)
C3320.7468 (3)0.0444 (2)0.6325 (4)0.0227 (10)
H3320.74890.06840.69470.027*
C3330.7506 (3)0.0628 (2)0.5203 (5)0.0292 (11)
H3330.75530.09960.50730.035*
C3340.7475 (3)0.0292 (2)0.4280 (4)0.0293 (11)
C3350.7400 (2)0.0243 (2)0.4486 (5)0.0290 (11)
H3350.73660.0480.38590.035*
C3360.7371 (2)0.0438 (2)0.5596 (4)0.0236 (10)
H3360.73320.08070.57190.028*
C3370.7528 (3)0.0497 (3)0.3073 (6)0.0450 (14)
H33A0.79720.04110.2760.067*
H33B0.71780.03340.25990.067*
H33C0.74660.0880.30740.067*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.01589 (13)0.01270 (13)0.02203 (15)0.00105 (10)0.00106 (15)0.00151 (14)
P10.0171 (5)0.0161 (5)0.0236 (6)0.0036 (4)0.0002 (4)0.0035 (5)
P20.0160 (5)0.0155 (5)0.0213 (6)0.0013 (4)0.0011 (4)0.0000 (4)
P30.0158 (4)0.0129 (4)0.0187 (6)0.0002 (3)0.0014 (4)0.0004 (5)
Cl10.0749 (11)0.0613 (10)0.0225 (7)0.0194 (8)0.0054 (7)0.0083 (6)
O010.168 (6)0.064 (3)0.060 (4)0.043 (4)0.024 (5)0.002 (4)
O02A0.358 (15)0.409 (16)0.062 (7)0.353 (15)0.124 (9)0.144 (10)
O03A0.132 (6)0.134 (6)0.029 (12)0.083 (5)0.002 (5)0.007 (5)
O04A0.169 (13)0.048 (4)0.026 (3)0.043 (5)0.009 (4)0.006 (2)
O02B0.358 (15)0.409 (16)0.062 (7)0.353 (15)0.124 (9)0.144 (10)
O03B0.132 (6)0.134 (6)0.029 (12)0.083 (5)0.002 (5)0.007 (5)
O04B0.169 (13)0.048 (4)0.026 (3)0.043 (5)0.009 (4)0.006 (2)
O0020.060 (3)0.053 (3)0.031 (2)0.008 (2)0.007 (2)0.0053 (19)
C0010.062 (4)0.101 (7)0.031 (3)0.046 (4)0.002 (3)0.006 (4)
C0020.051 (4)0.060 (4)0.021 (3)0.023 (3)0.001 (3)0.006 (3)
C0030.080 (6)0.048 (4)0.073 (5)0.021 (4)0.038 (5)0.015 (4)
C1110.0160 (19)0.021 (2)0.022 (2)0.0024 (16)0.0003 (17)0.0053 (18)
C1120.023 (2)0.0169 (19)0.022 (2)0.0014 (15)0.0013 (17)0.0066 (16)
C1130.023 (2)0.019 (2)0.026 (2)0.0018 (17)0.0028 (19)0.0046 (18)
C1140.0145 (19)0.022 (2)0.021 (2)0.0021 (16)0.0000 (16)0.0001 (17)
C1150.025 (2)0.025 (2)0.020 (2)0.0008 (18)0.0037 (18)0.0079 (19)
C1160.025 (2)0.022 (2)0.028 (3)0.0011 (18)0.003 (2)0.0085 (19)
C1170.037 (3)0.029 (3)0.028 (3)0.000 (2)0.000 (2)0.006 (2)
C1210.020 (2)0.021 (2)0.024 (2)0.0081 (17)0.0081 (18)0.0030 (18)
C1220.026 (2)0.021 (2)0.034 (3)0.0038 (18)0.003 (2)0.008 (2)
C1230.028 (3)0.024 (2)0.047 (3)0.0012 (19)0.012 (2)0.010 (2)
C1240.040 (3)0.025 (3)0.039 (3)0.011 (2)0.017 (2)0.007 (2)
C1250.042 (3)0.037 (3)0.028 (3)0.003 (2)0.005 (2)0.008 (2)
C1260.029 (3)0.032 (3)0.027 (3)0.004 (2)0.006 (2)0.005 (2)
C1270.059 (4)0.043 (3)0.040 (3)0.005 (3)0.024 (3)0.015 (3)
C1310.020 (2)0.018 (2)0.027 (2)0.0060 (16)0.0026 (18)0.0045 (18)
C1320.025 (2)0.020 (2)0.025 (3)0.0017 (15)0.0001 (19)0.0044 (18)
C1330.026 (2)0.023 (2)0.033 (3)0.0020 (18)0.003 (2)0.003 (2)
C1340.025 (2)0.020 (2)0.039 (3)0.0005 (18)0.005 (2)0.006 (2)
C1350.022 (2)0.025 (2)0.035 (3)0.0041 (18)0.000 (2)0.003 (2)
C1360.025 (2)0.024 (2)0.026 (3)0.0037 (18)0.002 (2)0.0002 (19)
C1370.028 (3)0.032 (3)0.056 (4)0.009 (2)0.000 (3)0.002 (3)
C2110.019 (2)0.017 (2)0.020 (2)0.0006 (16)0.0018 (17)0.0012 (17)
C2120.023 (2)0.021 (2)0.027 (3)0.0008 (18)0.0018 (19)0.0041 (19)
C2130.021 (2)0.027 (2)0.030 (3)0.0006 (18)0.001 (2)0.000 (2)
C2140.027 (2)0.035 (3)0.023 (2)0.006 (2)0.007 (2)0.000 (2)
C2150.027 (2)0.031 (3)0.024 (3)0.0028 (19)0.002 (2)0.007 (2)
C2160.020 (2)0.021 (2)0.026 (2)0.0002 (17)0.0038 (18)0.0022 (19)
C2170.053 (4)0.058 (4)0.028 (3)0.002 (3)0.013 (3)0.003 (3)
C2210.0156 (19)0.0155 (19)0.024 (2)0.0035 (15)0.0022 (17)0.0016 (17)
C2220.0171 (17)0.0186 (17)0.022 (2)0.0010 (13)0.001 (2)0.000 (2)
C2230.018 (2)0.019 (2)0.031 (3)0.0010 (16)0.0009 (18)0.0047 (19)
C2240.016 (2)0.015 (2)0.038 (3)0.0022 (16)0.0059 (19)0.0034 (19)
C2250.029 (2)0.030 (3)0.020 (2)0.0019 (19)0.0029 (19)0.0028 (19)
C2260.026 (2)0.028 (2)0.024 (2)0.0047 (18)0.0000 (19)0.000 (2)
C2270.024 (2)0.026 (3)0.049 (3)0.0017 (19)0.005 (2)0.010 (2)
C2310.024 (2)0.018 (2)0.017 (2)0.0000 (16)0.0026 (17)0.0020 (17)
C2320.023 (2)0.020 (2)0.025 (2)0.0023 (18)0.0010 (19)0.0019 (19)
C2330.027 (2)0.026 (2)0.022 (2)0.0033 (18)0.0060 (19)0.0060 (19)
C2340.039 (3)0.020 (2)0.027 (3)0.005 (2)0.015 (2)0.007 (2)
C2350.033 (3)0.017 (2)0.035 (3)0.0073 (18)0.012 (2)0.001 (2)
C2360.021 (2)0.019 (2)0.032 (3)0.0033 (17)0.0018 (19)0.0000 (19)
C2370.052 (4)0.022 (2)0.051 (4)0.011 (2)0.030 (3)0.012 (2)
C3110.0167 (19)0.0110 (18)0.021 (2)0.0004 (14)0.0007 (16)0.0010 (16)
C3120.020 (2)0.020 (2)0.018 (2)0.0033 (18)0.0002 (18)0.0005 (18)
C3130.030 (2)0.018 (2)0.021 (2)0.0036 (18)0.0022 (19)0.0035 (18)
C3140.024 (2)0.017 (2)0.025 (2)0.0032 (16)0.0070 (19)0.0019 (18)
C3150.016 (2)0.021 (2)0.041 (3)0.0018 (17)0.007 (2)0.005 (2)
C3160.023 (2)0.018 (2)0.027 (3)0.0008 (16)0.0021 (19)0.0065 (18)
C3170.035 (3)0.025 (3)0.042 (3)0.001 (2)0.013 (2)0.007 (2)
C3210.0190 (19)0.0157 (18)0.020 (2)0.0002 (14)0.0014 (16)0.0021 (16)
C3220.024 (2)0.027 (2)0.022 (2)0.0028 (17)0.0017 (17)0.0079 (18)
C3230.0179 (18)0.031 (2)0.031 (2)0.0016 (15)0.002 (2)0.001 (3)
C3240.019 (2)0.022 (2)0.030 (3)0.0044 (17)0.0051 (19)0.0056 (19)
C3250.030 (2)0.025 (2)0.025 (2)0.0046 (19)0.008 (2)0.004 (2)
C3260.019 (2)0.020 (2)0.027 (2)0.0013 (16)0.0023 (18)0.0046 (18)
C3270.023 (3)0.040 (3)0.047 (3)0.005 (2)0.013 (2)0.002 (3)
C3310.014 (2)0.022 (2)0.022 (2)0.0023 (15)0.0016 (17)0.0002 (18)
C3320.022 (2)0.023 (2)0.022 (2)0.0015 (19)0.0032 (19)0.0016 (19)
C3330.025 (2)0.033 (3)0.029 (3)0.000 (2)0.003 (2)0.012 (2)
C3340.020 (2)0.047 (3)0.022 (3)0.003 (2)0.0008 (19)0.007 (2)
C3350.019 (2)0.044 (3)0.024 (3)0.002 (2)0.0001 (19)0.006 (2)
C3360.019 (2)0.026 (2)0.025 (3)0.0028 (17)0.0005 (18)0.0073 (19)
C3370.037 (3)0.072 (4)0.025 (3)0.001 (3)0.005 (3)0.015 (4)
Geometric parameters (Å, º) top
Ag1—P32.4607 (10)C214—C2171.501 (7)
Ag1—P22.4681 (11)C215—C2161.384 (7)
Ag1—P12.4844 (11)C215—H2150.95
P1—C1111.823 (5)C216—H2160.95
P1—C1211.825 (5)C217—H21A0.98
P1—C1311.827 (5)C217—H21B0.98
P2—C2311.813 (5)C217—H21C0.98
P2—C2111.823 (5)C221—C2261.390 (7)
P2—C2211.831 (4)C221—C2221.397 (6)
P3—C3311.816 (5)C222—C2231.396 (6)
P3—C3211.817 (4)C222—H2220.95
P3—C3111.824 (4)C223—C2241.371 (7)
Cl1—O02B1.328 (9)C223—H2230.95
Cl1—O03B1.376 (14)C224—C2251.392 (7)
Cl1—O02A1.376 (15)C224—C2271.515 (6)
Cl1—O04A1.407 (15)C225—C2261.389 (7)
Cl1—O04B1.424 (7)C225—H2250.95
Cl1—O011.443 (5)C226—H2260.95
Cl1—O03A1.50 (2)C227—H22A0.98
O002—C0021.205 (8)C227—H22B0.98
C001—C0021.505 (9)C227—H22C0.98
C001—H01A0.98C231—C2321.397 (7)
C001—H01B0.98C231—C2361.406 (6)
C001—H01C0.98C232—C2331.394 (7)
C002—C0031.489 (11)C232—H2320.95
C003—H03A0.98C233—C2341.404 (7)
C003—H03B0.98C233—H2330.95
C003—H03C0.98C234—C2351.394 (8)
C111—C1161.388 (7)C234—C2371.501 (7)
C111—C1121.400 (6)C235—C2361.379 (7)
C112—C1131.387 (7)C235—H2350.95
C112—H1120.95C236—H2360.95
C113—C1141.404 (7)C237—H23A0.98
C113—H1130.95C237—H23B0.98
C114—C1151.394 (6)C237—H23C0.98
C114—C1171.510 (7)C311—C3161.388 (6)
C115—C1161.389 (7)C311—C3121.399 (6)
C115—H1150.95C312—C3131.392 (7)
C116—H1160.95C312—H3120.95
C117—H11A0.98C313—C3141.386 (7)
C117—H11B0.98C313—H3130.95
C117—H11C0.98C314—C3151.390 (7)
C121—C1261.391 (7)C314—C3171.507 (7)
C121—C1221.389 (7)C315—C3161.387 (6)
C122—C1231.383 (7)C315—H3150.95
C122—H1220.95C316—H3160.95
C123—C1241.382 (9)C317—H31A0.98
C123—H1230.95C317—H31B0.98
C124—C1251.375 (9)C317—H31C0.98
C124—C1271.517 (8)C321—C3221.379 (6)
C125—C1261.398 (7)C321—C3261.393 (6)
C125—H1250.95C322—C3231.402 (6)
C126—H1260.95C322—H3220.95
C127—H12A0.98C323—C3241.385 (7)
C127—H12B0.98C323—H3230.95
C127—H12C0.98C324—C3251.393 (7)
C131—C1321.386 (7)C324—C3271.509 (7)
C131—C1361.390 (7)C325—C3261.391 (7)
C132—C1331.396 (7)C325—H3250.95
C132—H1320.95C326—H3260.95
C133—C1341.384 (8)C327—H32A0.98
C133—H1330.95C327—H32B0.98
C134—C1351.386 (7)C327—H32C0.98
C134—C1371.515 (7)C331—C3361.397 (6)
C135—C1361.402 (7)C331—C3321.401 (7)
C135—H1350.95C332—C3331.394 (7)
C136—H1360.95C332—H3320.95
C137—H13A0.98C333—C3341.378 (8)
C137—H13B0.98C333—H3330.95
C137—H13C0.98C334—C3351.387 (8)
C211—C2121.375 (7)C334—C3371.507 (8)
C211—C2161.396 (6)C335—C3361.390 (7)
C212—C2131.385 (7)C335—H3350.95
C212—H2120.95C336—H3360.95
C213—C2141.399 (7)C337—H33A0.98
C213—H2130.95C337—H33B0.98
C214—C2151.378 (7)C337—H33C0.98
P3—Ag1—P2125.07 (4)C214—C213—H213119.6
P3—Ag1—P1114.24 (4)C215—C214—C213118.3 (5)
P2—Ag1—P1120.01 (4)C215—C214—C217120.6 (5)
C111—P1—C121104.9 (2)C213—C214—C217121.1 (5)
C111—P1—C131104.8 (2)C214—C215—C216120.9 (5)
C121—P1—C131108.0 (2)C214—C215—H215119.5
C111—P1—Ag1113.45 (15)C216—C215—H215119.5
C121—P1—Ag1110.26 (14)C215—C216—C211120.6 (4)
C131—P1—Ag1114.83 (14)C215—C216—H216119.7
C231—P2—C211105.8 (2)C211—C216—H216119.7
C231—P2—C221104.0 (2)C214—C217—H21A109.5
C211—P2—C221105.1 (2)C214—C217—H21B109.5
C231—P2—Ag1116.88 (15)H21A—C217—H21B109.5
C211—P2—Ag1105.05 (15)C214—C217—H21C109.5
C221—P2—Ag1118.75 (14)H21A—C217—H21C109.5
C331—P3—C321105.7 (2)H21B—C217—H21C109.5
C331—P3—C311102.8 (2)C226—C221—C222118.7 (4)
C321—P3—C311105.19 (19)C226—C221—P2119.2 (3)
C331—P3—Ag1112.46 (15)C222—C221—P2121.8 (4)
C321—P3—Ag1112.57 (14)C221—C222—C223120.1 (5)
C311—P3—Ag1117.08 (14)C221—C222—H222119.9
O02B—Cl1—O03B117.2 (16)C223—C222—H222119.9
O02B—Cl1—O02A15.1 (17)C224—C223—C222121.1 (4)
O03B—Cl1—O02A105 (3)C224—C223—H223119.4
O02B—Cl1—O04A91.8 (14)C222—C223—H223119.4
O03B—Cl1—O04A129 (3)C223—C224—C225118.8 (4)
O02A—Cl1—O04A106.9 (17)C223—C224—C227121.3 (5)
O02B—Cl1—O04B116.1 (6)C225—C224—C227119.8 (5)
O03B—Cl1—O04B108.4 (19)C226—C225—C224120.8 (5)
O02A—Cl1—O04B130.7 (14)C226—C225—H225119.6
O04A—Cl1—O04B25.0 (17)C224—C225—H225119.6
O02B—Cl1—O01107.9 (9)C225—C226—C221120.4 (5)
O03B—Cl1—O01103.6 (10)C225—C226—H226119.8
O02A—Cl1—O01104.7 (13)C221—C226—H226119.8
O04A—Cl1—O01105.5 (16)C224—C227—H22A109.5
O04B—Cl1—O01101.8 (5)C224—C227—H22B109.5
O02B—Cl1—O03A115 (2)H22A—C227—H22B109.5
O03B—Cl1—O03A8 (3)C224—C227—H22C109.5
O02A—Cl1—O03A102 (2)H22A—C227—H22C109.5
O04A—Cl1—O03A136 (3)H22B—C227—H22C109.5
O04B—Cl1—O03A115 (2)C232—C231—C236117.9 (4)
O01—Cl1—O03A97.8 (12)C232—C231—P2123.7 (3)
C002—C001—H01A109.5C236—C231—P2118.3 (4)
C002—C001—H01B109.5C233—C232—C231120.6 (4)
H01A—C001—H01B109.5C233—C232—H232119.7
C002—C001—H01C109.5C231—C232—H232119.7
H01A—C001—H01C109.5C232—C233—C234121.1 (5)
H01B—C001—H01C109.5C232—C233—H233119.4
O002—C002—C003122.1 (6)C234—C233—H233119.4
O002—C002—C001119.1 (7)C235—C234—C233117.8 (4)
C003—C002—C001118.7 (7)C235—C234—C237121.7 (5)
C002—C003—H03A109.5C233—C234—C237120.5 (5)
C002—C003—H03B109.5C236—C235—C234121.3 (4)
H03A—C003—H03B109.5C236—C235—H235119.4
C002—C003—H03C109.5C234—C235—H235119.4
H03A—C003—H03C109.5C235—C236—C231121.2 (5)
H03B—C003—H03C109.5C235—C236—H236119.4
C116—C111—C112118.7 (4)C231—C236—H236119.4
C116—C111—P1118.1 (3)C234—C237—H23A109.5
C112—C111—P1123.2 (4)C234—C237—H23B109.5
C113—C112—C111120.3 (4)H23A—C237—H23B109.5
C113—C112—H112119.8C234—C237—H23C109.5
C111—C112—H112119.8H23A—C237—H23C109.5
C112—C113—C114121.1 (4)H23B—C237—H23C109.5
C112—C113—H113119.4C316—C311—C312119.4 (4)
C114—C113—H113119.4C316—C311—P3117.8 (3)
C115—C114—C113117.9 (4)C312—C311—P3122.8 (3)
C115—C114—C117121.3 (4)C313—C312—C311119.6 (5)
C113—C114—C117120.7 (4)C313—C312—H312120.2
C116—C115—C114121.0 (4)C311—C312—H312120.2
C116—C115—H115119.5C314—C313—C312121.4 (4)
C114—C115—H115119.5C314—C313—H313119.3
C115—C116—C111120.8 (4)C312—C313—H313119.3
C115—C116—H116119.6C313—C314—C315118.3 (4)
C111—C116—H116119.6C313—C314—C317120.4 (4)
C114—C117—H11A109.5C315—C314—C317121.3 (4)
C114—C117—H11B109.5C316—C315—C314121.3 (4)
H11A—C117—H11B109.5C316—C315—H315119.4
C114—C117—H11C109.5C314—C315—H315119.4
H11A—C117—H11C109.5C315—C316—C311120.1 (4)
H11B—C117—H11C109.5C315—C316—H316120
C126—C121—C122118.5 (5)C311—C316—H316120
C126—C121—P1124.9 (4)C314—C317—H31A109.5
C122—C121—P1116.5 (4)C314—C317—H31B109.5
C123—C122—C121120.4 (5)H31A—C317—H31B109.5
C123—C122—H122119.8C314—C317—H31C109.5
C121—C122—H122119.8H31A—C317—H31C109.5
C124—C123—C122121.5 (5)H31B—C317—H31C109.5
C124—C123—H123119.2C322—C321—C326119.5 (4)
C122—C123—H123119.2C322—C321—P3122.7 (3)
C125—C124—C123118.2 (5)C326—C321—P3117.8 (3)
C125—C124—C127120.4 (6)C321—C322—C323120.3 (4)
C123—C124—C127121.4 (5)C321—C322—H322119.9
C124—C125—C126121.2 (6)C323—C322—H322119.9
C124—C125—H125119.4C324—C323—C322120.9 (5)
C126—C125—H125119.4C324—C323—H323119.6
C121—C126—C125120.1 (5)C322—C323—H323119.6
C121—C126—H126119.9C323—C324—C325118.1 (4)
C125—C126—H126119.9C323—C324—C327121.1 (5)
C124—C127—H12A109.5C325—C324—C327120.8 (5)
C124—C127—H12B109.5C324—C325—C326121.4 (5)
H12A—C127—H12B109.5C324—C325—H325119.3
C124—C127—H12C109.5C326—C325—H325119.3
H12A—C127—H12C109.5C325—C326—C321119.7 (4)
H12B—C127—H12C109.5C325—C326—H326120.1
C132—C131—C136119.1 (4)C321—C326—H326120.1
C132—C131—P1120.8 (4)C324—C327—H32A109.5
C136—C131—P1119.9 (4)C324—C327—H32B109.5
C131—C132—C133120.4 (5)H32A—C327—H32B109.5
C131—C132—H132119.8C324—C327—H32C109.5
C133—C132—H132119.8H32A—C327—H32C109.5
C134—C133—C132120.8 (5)H32B—C327—H32C109.5
C134—C133—H133119.6C336—C331—C332118.4 (5)
C132—C133—H133119.6C336—C331—P3119.6 (4)
C133—C134—C135119.1 (5)C332—C331—P3121.9 (4)
C133—C134—C137121.2 (5)C333—C332—C331119.8 (5)
C135—C134—C137119.7 (5)C333—C332—H332120.1
C134—C135—C136120.4 (5)C331—C332—H332120.1
C134—C135—H135119.8C334—C333—C332121.7 (5)
C136—C135—H135119.8C334—C333—H333119.1
C131—C136—C135120.2 (5)C332—C333—H333119.1
C131—C136—H136119.9C333—C334—C335118.4 (5)
C135—C136—H136119.9C333—C334—C337121.1 (5)
C134—C137—H13A109.5C335—C334—C337120.6 (5)
C134—C137—H13B109.5C336—C335—C334121.1 (5)
H13A—C137—H13B109.5C336—C335—H335119.5
C134—C137—H13C109.5C334—C335—H335119.5
H13A—C137—H13C109.5C335—C336—C331120.6 (5)
H13B—C137—H13C109.5C335—C336—H336119.7
C212—C211—C216118.6 (4)C331—C336—H336119.7
C212—C211—P2123.3 (4)C334—C337—H33A109.5
C216—C211—P2118.1 (3)C334—C337—H33B109.5
C211—C212—C213120.7 (5)H33A—C337—H33B109.5
C211—C212—H212119.6C334—C337—H33C109.5
C213—C212—H212119.6H33A—C337—H33C109.5
C212—C213—C214120.7 (5)H33B—C337—H33C109.5
C212—C213—H213119.6
P3—Ag1—P1—C111122.57 (16)P2—C211—C216—C215179.4 (4)
P2—Ag1—P1—C11166.41 (16)C231—P2—C221—C22651.2 (4)
P3—Ag1—P1—C121120.16 (18)C211—P2—C221—C226162.2 (4)
P2—Ag1—P1—C12150.86 (19)Ag1—P2—C221—C22680.7 (4)
P3—Ag1—P1—C1312.06 (19)C231—P2—C221—C222134.4 (4)
P2—Ag1—P1—C131173.08 (18)C211—P2—C221—C22223.4 (4)
P3—Ag1—P2—C231140.49 (17)Ag1—P2—C221—C22293.6 (4)
P1—Ag1—P2—C23149.53 (18)C226—C221—C222—C2230.2 (6)
P3—Ag1—P2—C211102.62 (15)P2—C221—C222—C223174.6 (3)
P1—Ag1—P2—C21167.37 (15)C221—C222—C223—C2240.9 (6)
P3—Ag1—P2—C22114.47 (19)C222—C223—C224—C2251.3 (7)
P1—Ag1—P2—C221175.55 (17)C222—C223—C224—C227179.8 (4)
P2—Ag1—P3—C33187.84 (16)C223—C224—C225—C2261.1 (7)
P1—Ag1—P3—C33182.65 (15)C227—C224—C225—C226180.0 (5)
P2—Ag1—P3—C321152.92 (16)C224—C225—C226—C2210.5 (8)
P1—Ag1—P3—C32136.58 (17)C222—C221—C226—C2250.0 (7)
P2—Ag1—P3—C31130.84 (18)P2—C221—C226—C225174.6 (4)
P1—Ag1—P3—C311158.67 (16)C211—P2—C231—C23278.9 (4)
C121—P1—C111—C116155.7 (4)C221—P2—C231—C23231.5 (5)
C131—P1—C111—C11690.7 (4)Ag1—P2—C231—C232164.6 (4)
Ag1—P1—C111—C11635.3 (4)C211—P2—C231—C23698.5 (4)
C121—P1—C111—C11224.3 (4)C221—P2—C231—C236151.0 (4)
C131—P1—C111—C11289.3 (4)Ag1—P2—C231—C23618.0 (4)
Ag1—P1—C111—C112144.7 (3)C236—C231—C232—C2330.5 (7)
C116—C111—C112—C1130.0 (7)P2—C231—C232—C233177.0 (4)
P1—C111—C112—C113179.9 (3)C231—C232—C233—C2341.4 (8)
C111—C112—C113—C1140.2 (7)C232—C233—C234—C2352.1 (8)
C112—C113—C114—C1150.2 (7)C232—C233—C234—C237177.7 (5)
C112—C113—C114—C117178.1 (4)C233—C234—C235—C2361.0 (8)
C113—C114—C115—C1161.0 (7)C237—C234—C235—C236178.8 (5)
C117—C114—C115—C116178.9 (4)C234—C235—C236—C2310.9 (8)
C114—C115—C116—C1111.3 (7)C232—C231—C236—C2351.6 (7)
C112—C111—C116—C1150.8 (7)P2—C231—C236—C235176.0 (4)
P1—C111—C116—C115179.2 (4)C331—P3—C311—C31670.1 (4)
C111—P1—C121—C126111.9 (4)C321—P3—C311—C316179.5 (4)
C131—P1—C121—C1260.6 (5)Ag1—P3—C311—C31653.7 (4)
Ag1—P1—C121—C126125.6 (4)C331—P3—C311—C312109.2 (4)
C111—P1—C121—C12271.9 (4)C321—P3—C311—C3121.2 (4)
C131—P1—C121—C122176.7 (4)Ag1—P3—C311—C312127.0 (4)
Ag1—P1—C121—C12250.6 (4)C316—C311—C312—C3130.3 (7)
C126—C121—C122—C1230.5 (7)P3—C311—C312—C313179.0 (4)
P1—C121—C122—C123176.0 (4)C311—C312—C313—C3140.2 (7)
C121—C122—C123—C1241.1 (8)C312—C313—C314—C3150.5 (7)
C122—C123—C124—C1251.9 (8)C312—C313—C314—C317178.9 (5)
C122—C123—C124—C127178.3 (5)C313—C314—C315—C3160.9 (7)
C123—C124—C125—C1261.3 (8)C317—C314—C315—C316178.4 (5)
C127—C124—C125—C126178.9 (5)C314—C315—C316—C3111.0 (8)
C122—C121—C126—C1251.1 (7)C312—C311—C316—C3150.7 (7)
P1—C121—C126—C125175.0 (4)P3—C311—C316—C315178.7 (4)
C124—C125—C126—C1210.3 (8)C331—P3—C321—C32212.9 (4)
C111—P1—C131—C13220.7 (4)C311—P3—C321—C32295.4 (4)
C121—P1—C131—C132132.1 (4)Ag1—P3—C321—C322136.0 (4)
Ag1—P1—C131—C132104.4 (3)C331—P3—C321—C326166.7 (3)
C111—P1—C131—C136164.4 (4)C311—P3—C321—C32685.0 (4)
C121—P1—C131—C13653.0 (4)Ag1—P3—C321—C32643.6 (4)
Ag1—P1—C131—C13670.4 (4)C326—C321—C322—C3231.1 (7)
C136—C131—C132—C1330.3 (7)P3—C321—C322—C323178.5 (4)
P1—C131—C132—C133175.2 (4)C321—C322—C323—C3240.6 (7)
C131—C132—C133—C1340.8 (7)C322—C323—C324—C3250.8 (7)
C132—C133—C134—C1350.2 (7)C322—C323—C324—C327177.3 (5)
C132—C133—C134—C137179.1 (5)C323—C324—C325—C3261.8 (7)
C133—C134—C135—C1361.5 (7)C327—C324—C325—C326176.3 (5)
C137—C134—C135—C136177.4 (5)C324—C325—C326—C3211.3 (7)
C132—C131—C136—C1352.0 (7)C322—C321—C326—C3250.1 (7)
P1—C131—C136—C135177.0 (4)P3—C321—C326—C325179.5 (4)
C134—C135—C136—C1312.7 (7)C321—P3—C331—C33697.6 (4)
C231—P2—C211—C21219.0 (5)C311—P3—C331—C336152.3 (3)
C221—P2—C211—C21290.7 (4)Ag1—P3—C331—C33625.6 (4)
Ag1—P2—C211—C212143.3 (4)C321—P3—C331—C33281.5 (4)
C231—P2—C211—C216159.7 (4)C311—P3—C331—C33228.5 (4)
C221—P2—C211—C21690.6 (4)Ag1—P3—C331—C332155.3 (4)
Ag1—P2—C211—C21635.5 (4)C336—C331—C332—C3330.0 (7)
C216—C211—C212—C2131.3 (7)P3—C331—C332—C333179.2 (4)
P2—C211—C212—C213177.4 (4)C331—C332—C333—C3340.1 (8)
C211—C212—C213—C2142.0 (8)C332—C333—C334—C3350.6 (8)
C212—C213—C214—C2150.6 (7)C332—C333—C334—C337179.0 (5)
C212—C213—C214—C217178.8 (5)C333—C334—C335—C3361.6 (8)
C213—C214—C215—C2161.3 (8)C337—C334—C335—C336178.1 (5)
C217—C214—C215—C216179.3 (5)C334—C335—C336—C3311.8 (7)
C214—C215—C216—C2111.9 (7)C332—C331—C336—C3351.0 (7)
C212—C211—C216—C2150.6 (7)P3—C331—C336—C335178.3 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C003—H03B···O03B0.982.413.24 (4)143
C215—H215···O0020.952.453.396 (7)178
C335—H335···O03B0.952.453.206 (15)136
C217—H21B···O01i0.982.553.272 (9)131
C116—H116···O04Bii0.952.453.073 (9)123
C115—H115···O01ii0.952.563.417 (8)150
C323—H323···O02Biii0.952.393.155 (8)138
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) x, y, z+1; (iii) x+1, y, z+1/2.
 

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