Polymorphism in iodotris(tri-p-tolylphosphine)silver(I)

The reaction of silver(I) iodide with tri(p-tolyl)phosphine in MeCN solution in 1:3 molar ratio yields a polymorph of the complex of the formula [AgI{P(4-MeC₆H₄)₃}₃], with the Ag atom in a distorted tetrahedral environment. A polymorphic structure of this complex (a) is compared with previously published crystal structures (b), determined at different temperatures. The two polymorphs are compared using r.m.s. overlay calculations as well as half-normal probability plots.

S1. Comment

See manuscript

S2. Experimental

See manuscript

S3. Refinement

See manuscript

Computing details

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND 3.0c (Brandenburg & Putz, 2004); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures

See manuscript

(I)

Crystal data

C63H63AgIP3	F(000) = 4688
Mr = 1147.82	Dx = 1.395 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -C 2yc	Cell parameters from 8070 reflections
a = 22.745 (3) Å	θ = 2.2–28.3°
b = 11.0100 (12) Å	µ = 1.06 mm^−1
c = 44.797 (5) Å	T = 100 K
β = 103.007 (5)°	Cuboid, colourless
V = 10930 (2) Å^3	0.26 × 0.2 × 0.17 mm
Z = 8

Data collection

CCD area detector diffractometer	12118 reflections with I > 2σ(I)
phi and ω scans	Rint = 0.033
Absorption correction: multi-scan SADABS (Bruker, 2004)	θmax = 28.4°, θmin = 0.9°
Tmin = 0.770, Tmax = 0.840	h = −30→30
88005 measured reflections	k = −14→14
13655 independent reflections	l = −59→59

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.026	w = 1/[σ^2(Fo^2) + (0.0182P)^2 + 18.1054P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.058	(Δ/σ)max = 0.004
S = 1.07	Δρmax = 0.43 e Å^−3
13655 reflections	Δρmin = −0.50 e Å^−3
623 parameters	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.000064 (7)
Primary atom site location: structure-invariant direct methods

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
C237	0.66761 (10)	0.56920 (18)	0.04637 (5)	0.0290 (5)
H23A	0.6343	0.5691	0.0282	0.044*
H23B	0.6993	0.6245	0.0431	0.044*
H23C	0.6527	0.5963	0.0642	0.044*
C111	0.62321 (8)	−0.02438 (16)	0.16634 (4)	0.0165 (3)
C112	0.56297 (8)	−0.04001 (16)	0.16822 (4)	0.0190 (4)
H112	0.5314	−0.0137	0.1518	0.023*
C113	0.54914 (8)	−0.09365 (17)	0.19384 (4)	0.0216 (4)
H113	0.5081	−0.1037	0.1948	0.026*
C114	0.59458 (9)	−0.13293 (17)	0.21820 (4)	0.0217 (4)
C115	0.65424 (9)	−0.12012 (17)	0.21589 (4)	0.0224 (4)
H115	0.6858	−0.1476	0.2322	0.027*
C116	0.66842 (8)	−0.06789 (16)	0.19024 (4)	0.0197 (4)
H116	0.7094	−0.0617	0.189	0.024*
C117	0.57973 (10)	−0.1887 (2)	0.24639 (5)	0.0322 (5)
H11A	0.6167	−0.2207	0.2597	0.048*
H11B	0.5507	−0.2548	0.2403	0.048*
H11C	0.5622	−0.1266	0.2575	0.048*
C121	0.63070 (8)	0.21322 (16)	0.13910 (4)	0.0163 (3)
C122	0.57870 (8)	0.25562 (17)	0.14757 (4)	0.0206 (4)
H122	0.5493	0.1994	0.1511	0.025*
C123	0.56978 (9)	0.37880 (17)	0.15084 (4)	0.0222 (4)
H123	0.534	0.4059	0.1564	0.027*
C124	0.61211 (9)	0.46390 (17)	0.14617 (4)	0.0228 (4)
C125	0.66320 (9)	0.42218 (17)	0.13718 (5)	0.0250 (4)
H125	0.6922	0.4786	0.1334	0.03*
C126	0.67215 (8)	0.29816 (17)	0.13369 (4)	0.0215 (4)
H126	0.7073	0.2713	0.1275	0.026*
C127	0.60125 (11)	0.59755 (18)	0.15038 (6)	0.0350 (5)
H12A	0.6337	0.6449	0.1449	0.052*
H12B	0.6005	0.6132	0.1718	0.052*
H12C	0.5625	0.6212	0.1372	0.052*
C131	0.58572 (8)	0.00920 (16)	0.10187 (4)	0.0160 (3)
C132	0.55948 (8)	0.09207 (17)	0.07940 (4)	0.0201 (4)
H132	0.5711	0.1751	0.0815	0.024*
C133	0.51620 (9)	0.05435 (18)	0.05388 (4)	0.0241 (4)
H133	0.4989	0.1123	0.0387	0.029*
C134	0.49784 (9)	−0.06593 (18)	0.05013 (4)	0.0228 (4)
C135	0.52502 (8)	−0.14886 (17)	0.07238 (4)	0.0216 (4)
H135	0.5135	−0.2319	0.0702	0.026*
C136	0.56865 (8)	−0.11290 (17)	0.09776 (4)	0.0197 (4)
H136	0.5871	−0.1716	0.1125	0.024*
C137	0.44945 (10)	−0.1057 (2)	0.02296 (5)	0.0337 (5)
H13A	0.4129	−0.1275	0.0298	0.05*
H13B	0.4637	−0.1763	0.0133	0.05*
H13C	0.4404	−0.039	0.0081	0.05*
C211	0.72216 (8)	−0.03792 (16)	0.04361 (4)	0.0168 (3)
C212	0.73900 (9)	−0.0439 (2)	0.01562 (4)	0.0274 (4)
H212	0.7742	−0.0028	0.013	0.033*
C213	0.70462 (10)	−0.1096 (2)	−0.00847 (5)	0.0309 (5)
H213	0.7169	−0.1135	−0.0273	0.037*
C214	0.65254 (9)	−0.16966 (17)	−0.00559 (4)	0.0229 (4)
C215	0.63480 (9)	−0.16024 (16)	0.02190 (4)	0.0206 (4)
H215	0.5983	−0.1977	0.024	0.025*
C216	0.66959 (8)	−0.09674 (16)	0.04656 (4)	0.0182 (4)
H216	0.6574	−0.0936	0.0655	0.022*
C217	0.61775 (10)	−0.2461 (2)	−0.03164 (5)	0.0326 (5)
H21A	0.6428	−0.3145	−0.0353	0.049*
H21B	0.6069	−0.1964	−0.0502	0.049*
H21C	0.581	−0.2769	−0.0263	0.049*
C221	0.84132 (8)	0.03990 (16)	0.07306 (4)	0.0171 (3)
C222	0.86694 (8)	0.10446 (17)	0.05250 (4)	0.0209 (4)
H222	0.8441	0.1651	0.0399	0.025*
C223	0.92588 (9)	0.08051 (18)	0.05036 (5)	0.0242 (4)
H223	0.9425	0.1242	0.0359	0.029*
C224	0.96111 (8)	−0.00642 (18)	0.06897 (5)	0.0241 (4)
C225	0.93589 (8)	−0.06809 (18)	0.08998 (4)	0.0226 (4)
H225	0.9594	−0.1262	0.1032	0.027*
C226	0.87666 (8)	−0.04622 (17)	0.09200 (4)	0.0196 (4)
H226	0.86	−0.0902	0.1064	0.024*
C227	1.02431 (9)	−0.0334 (2)	0.06553 (6)	0.0361 (5)
H22A	1.0451	−0.0839	0.0827	0.054*
H22B	1.0464	0.043	0.0654	0.054*
H22C	1.0225	−0.0767	0.0462	0.054*
C231	0.73882 (8)	0.20598 (16)	0.06347 (4)	0.0155 (3)
C232	0.68537 (9)	0.22710 (17)	0.04187 (4)	0.0227 (4)
H232	0.664	0.1609	0.0308	0.027*
C233	0.66308 (9)	0.34438 (18)	0.03637 (5)	0.0259 (4)
H233	0.6266	0.3572	0.0215	0.031*
C234	0.69285 (9)	0.44315 (17)	0.05202 (4)	0.0209 (4)
C235	0.74671 (9)	0.42198 (17)	0.07327 (4)	0.0231 (4)
H235	0.7685	0.4885	0.0839	0.028*
C236	0.76908 (8)	0.30518 (17)	0.07916 (4)	0.0205 (4)
H236	0.8055	0.2926	0.0941	0.025*
C311	0.86296 (8)	0.22523 (16)	0.16040 (4)	0.0168 (3)
C312	0.84113 (8)	0.33750 (17)	0.16742 (4)	0.0203 (4)
H312	0.8147	0.3416	0.1811	0.024*
C313	0.85774 (8)	0.44403 (17)	0.15453 (4)	0.0220 (4)
H313	0.842	0.5195	0.1594	0.026*
C314	0.89687 (8)	0.44216 (17)	0.13463 (4)	0.0202 (4)
C315	0.92006 (8)	0.32997 (18)	0.12861 (4)	0.0207 (4)
H315	0.948	0.3265	0.1157	0.025*
C316	0.90342 (8)	0.22329 (17)	0.14093 (4)	0.0188 (4)
H316	0.9196	0.1481	0.1361	0.023*
C317	0.91164 (9)	0.55691 (19)	0.11950 (5)	0.0278 (4)
H31A	0.9381	0.5376	0.1056	0.042*
H31B	0.9321	0.614	0.1352	0.042*
H31C	0.8743	0.5938	0.1078	0.042*
C321	0.90193 (8)	−0.01156 (17)	0.18353 (4)	0.0181 (4)
C322	0.95584 (8)	0.03913 (18)	0.20006 (4)	0.0214 (4)
H322	0.9592	0.1247	0.2027	0.026*
C323	1.00460 (8)	−0.03490 (19)	0.21263 (4)	0.0236 (4)
H323	1.041	0.0009	0.2237	0.028*
C324	1.00104 (9)	−0.16074 (19)	0.20931 (4)	0.0242 (4)
C325	0.94749 (9)	−0.21031 (18)	0.19257 (4)	0.0240 (4)
H325	0.9443	−0.2958	0.1899	0.029*
C326	0.89848 (9)	−0.13737 (17)	0.17970 (4)	0.0206 (4)
H326	0.8624	−0.1733	0.1682	0.025*
C327	1.05435 (10)	−0.2404 (2)	0.22355 (5)	0.0339 (5)
H32A	1.0894	−0.217	0.2155	0.051*
H32B	1.0443	−0.3256	0.2185	0.051*
H32C	1.0638	−0.2301	0.2458	0.051*
C331	0.80775 (8)	0.10081 (16)	0.20589 (4)	0.0174 (3)
C332	0.83088 (9)	0.03257 (18)	0.23210 (4)	0.0227 (4)
H332	0.8644	−0.0195	0.2326	0.027*
C333	0.80571 (10)	0.0395 (2)	0.25754 (4)	0.0280 (4)
H333	0.8226	−0.0076	0.2752	0.034*
C334	0.75640 (10)	0.11377 (19)	0.25782 (5)	0.0279 (4)
C337	0.72863 (12)	0.1200 (2)	0.28543 (5)	0.0436 (6)
H33A	0.7415	0.0493	0.2986	0.065*
H33B	0.6846	0.1202	0.2787	0.065*
H33C	0.7419	0.1945	0.297	0.065*
C335	0.73338 (9)	0.18190 (19)	0.23166 (5)	0.0248 (4)
H336	0.7001	0.2345	0.2314	0.03*
C336	0.75773 (8)	0.17501 (17)	0.20600 (4)	0.0205 (4)
H337	0.7403	0.2211	0.1883	0.025*
P1	0.64570 (2)	0.05189 (4)	0.134480 (10)	0.01517 (9)
P2	0.76277 (2)	0.05256 (4)	0.075737 (10)	0.01494 (9)
P3	0.83375 (2)	0.07902 (4)	0.170325 (10)	0.01502 (9)
Ag1	0.749448 (6)	−0.000654 (11)	0.128269 (3)	0.01451 (4)
I1	0.748947 (5)	−0.258264 (10)	0.125807 (3)	0.02076 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C237	0.0292 (11)	0.0195 (10)	0.0397 (12)	0.0063 (8)	0.0105 (10)	0.0057 (9)
C111	0.0161 (8)	0.0146 (8)	0.0178 (8)	−0.0019 (7)	0.0019 (7)	0.0014 (7)
C112	0.0144 (8)	0.0200 (9)	0.0207 (9)	0.0009 (7)	0.0002 (7)	0.0045 (7)
C113	0.0167 (9)	0.0239 (9)	0.0246 (9)	−0.0007 (8)	0.0056 (8)	0.0047 (8)
C114	0.0237 (9)	0.0211 (9)	0.0201 (9)	0.0003 (8)	0.0045 (8)	0.0039 (7)
C115	0.0195 (9)	0.0228 (9)	0.0218 (9)	0.0012 (8)	−0.0022 (8)	0.0052 (7)
C116	0.0152 (8)	0.0187 (9)	0.0235 (9)	−0.0005 (7)	0.0009 (7)	0.0022 (7)
C117	0.0309 (11)	0.0418 (13)	0.0247 (10)	0.0042 (10)	0.0079 (9)	0.0133 (9)
C121	0.0153 (8)	0.0164 (8)	0.0164 (8)	−0.0001 (7)	0.0019 (7)	0.0013 (7)
C122	0.0196 (9)	0.0184 (9)	0.0250 (9)	−0.0028 (7)	0.0078 (8)	0.0000 (7)
C123	0.0233 (9)	0.0216 (9)	0.0231 (9)	0.0023 (8)	0.0083 (8)	−0.0004 (7)
C124	0.0283 (10)	0.0181 (9)	0.0222 (9)	0.0002 (8)	0.0062 (8)	0.0018 (7)
C125	0.0239 (10)	0.0174 (9)	0.0341 (11)	−0.0028 (8)	0.0074 (9)	0.0045 (8)
C126	0.0178 (9)	0.0206 (9)	0.0268 (10)	0.0005 (8)	0.0066 (8)	0.0034 (8)
C127	0.0421 (13)	0.0172 (10)	0.0495 (14)	0.0031 (9)	0.0186 (11)	0.0026 (9)
C131	0.0130 (8)	0.0183 (8)	0.0167 (8)	0.0001 (7)	0.0033 (7)	0.0017 (7)
C132	0.0232 (9)	0.0170 (8)	0.0200 (9)	0.0010 (7)	0.0044 (8)	0.0013 (7)
C133	0.0274 (10)	0.0230 (10)	0.0196 (9)	0.0053 (8)	0.0003 (8)	0.0045 (7)
C134	0.0202 (9)	0.0284 (10)	0.0184 (9)	0.0022 (8)	0.0012 (8)	0.0006 (8)
C135	0.0212 (9)	0.0207 (9)	0.0225 (9)	−0.0046 (8)	0.0038 (8)	0.0006 (7)
C136	0.0188 (9)	0.0192 (9)	0.0194 (9)	−0.0011 (7)	0.0007 (7)	0.0048 (7)
C137	0.0342 (12)	0.0346 (12)	0.0249 (10)	−0.0021 (10)	−0.0088 (9)	0.0007 (9)
C211	0.0186 (9)	0.0143 (8)	0.0157 (8)	0.0022 (7)	0.0002 (7)	−0.0008 (6)
C212	0.0233 (10)	0.0376 (12)	0.0222 (10)	−0.0075 (9)	0.0070 (8)	−0.0070 (8)
C213	0.0282 (11)	0.0457 (13)	0.0196 (9)	−0.0029 (10)	0.0069 (9)	−0.0093 (9)
C214	0.0225 (9)	0.0211 (9)	0.0216 (9)	0.0039 (8)	−0.0021 (8)	−0.0048 (7)
C215	0.0191 (9)	0.0153 (8)	0.0254 (9)	0.0000 (7)	0.0007 (8)	−0.0007 (7)
C216	0.0213 (9)	0.0161 (8)	0.0171 (8)	0.0017 (7)	0.0039 (7)	0.0006 (7)
C217	0.0294 (11)	0.0341 (12)	0.0292 (11)	0.0013 (10)	−0.0041 (9)	−0.0135 (9)
C221	0.0166 (8)	0.0179 (9)	0.0157 (8)	−0.0013 (7)	0.0012 (7)	−0.0042 (7)
C222	0.0200 (9)	0.0190 (9)	0.0221 (9)	−0.0026 (7)	0.0016 (8)	0.0004 (7)
C223	0.0224 (10)	0.0260 (10)	0.0249 (10)	−0.0077 (8)	0.0069 (8)	−0.0022 (8)
C224	0.0163 (9)	0.0273 (10)	0.0273 (10)	−0.0024 (8)	0.0018 (8)	−0.0089 (8)
C225	0.0192 (9)	0.0246 (10)	0.0212 (9)	0.0043 (8)	−0.0011 (8)	−0.0035 (8)
C226	0.0201 (9)	0.0209 (9)	0.0165 (8)	0.0010 (7)	0.0013 (7)	−0.0022 (7)
C227	0.0201 (10)	0.0436 (13)	0.0456 (13)	0.0020 (10)	0.0093 (10)	−0.0023 (11)
C231	0.0172 (8)	0.0153 (8)	0.0142 (8)	0.0006 (7)	0.0042 (7)	0.0006 (6)
C232	0.0224 (9)	0.0197 (9)	0.0227 (9)	0.0002 (8)	−0.0021 (8)	−0.0012 (7)
C233	0.0227 (10)	0.0261 (10)	0.0256 (10)	0.0053 (8)	−0.0018 (8)	0.0043 (8)
C234	0.0235 (9)	0.0185 (9)	0.0228 (9)	0.0036 (8)	0.0093 (8)	0.0043 (7)
C235	0.0244 (10)	0.0174 (9)	0.0266 (10)	−0.0034 (8)	0.0037 (8)	−0.0020 (8)
C236	0.0193 (9)	0.0193 (9)	0.0208 (9)	0.0003 (7)	−0.0001 (7)	0.0017 (7)
C311	0.0134 (8)	0.0196 (9)	0.0156 (8)	−0.0020 (7)	−0.0007 (7)	−0.0009 (7)
C312	0.0189 (9)	0.0214 (9)	0.0209 (9)	−0.0008 (7)	0.0050 (8)	−0.0011 (7)
C313	0.0205 (9)	0.0181 (9)	0.0271 (10)	0.0014 (7)	0.0049 (8)	−0.0003 (7)
C314	0.0152 (8)	0.0221 (9)	0.0211 (9)	−0.0024 (7)	−0.0007 (7)	0.0023 (7)
C315	0.0153 (8)	0.0268 (10)	0.0199 (9)	−0.0036 (8)	0.0037 (7)	−0.0002 (7)
C316	0.0155 (8)	0.0218 (9)	0.0186 (8)	−0.0008 (7)	0.0029 (7)	−0.0026 (7)
C317	0.0232 (10)	0.0268 (10)	0.0331 (11)	−0.0026 (8)	0.0063 (9)	0.0084 (9)
C321	0.0164 (8)	0.0225 (9)	0.0148 (8)	0.0019 (7)	0.0025 (7)	0.0004 (7)
C322	0.0190 (9)	0.0248 (10)	0.0196 (9)	0.0008 (8)	0.0022 (8)	−0.0043 (7)
C323	0.0149 (9)	0.0348 (11)	0.0187 (9)	0.0020 (8)	−0.0012 (7)	−0.0053 (8)
C324	0.0225 (9)	0.0326 (11)	0.0164 (9)	0.0097 (8)	0.0023 (8)	−0.0006 (8)
C325	0.0266 (10)	0.0230 (9)	0.0209 (9)	0.0058 (8)	0.0025 (8)	0.0002 (8)
C326	0.0195 (9)	0.0226 (9)	0.0181 (8)	0.0006 (8)	0.0009 (7)	0.0000 (7)
C327	0.0301 (11)	0.0429 (13)	0.0254 (10)	0.0171 (10)	−0.0005 (9)	−0.0017 (9)
C331	0.0159 (8)	0.0196 (9)	0.0160 (8)	−0.0047 (7)	0.0023 (7)	−0.0035 (7)
C332	0.0214 (9)	0.0255 (10)	0.0198 (9)	−0.0009 (8)	0.0016 (8)	−0.0007 (8)
C333	0.0333 (11)	0.0331 (11)	0.0168 (9)	−0.0058 (9)	0.0040 (8)	0.0021 (8)
C334	0.0295 (11)	0.0332 (11)	0.0232 (10)	−0.0094 (9)	0.0107 (9)	−0.0068 (9)
C337	0.0507 (15)	0.0550 (16)	0.0318 (12)	−0.0063 (13)	0.0234 (12)	−0.0052 (11)
C335	0.0203 (9)	0.0275 (10)	0.0276 (10)	−0.0048 (8)	0.0074 (8)	−0.0091 (8)
C336	0.0178 (9)	0.0219 (9)	0.0213 (9)	−0.0045 (7)	0.0029 (7)	−0.0030 (7)
P1	0.0126 (2)	0.0146 (2)	0.0179 (2)	−0.00063 (17)	0.00255 (17)	0.00174 (17)
P2	0.0159 (2)	0.0147 (2)	0.0133 (2)	0.00025 (17)	0.00162 (17)	−0.00018 (16)
P3	0.0127 (2)	0.0174 (2)	0.0140 (2)	−0.00021 (17)	0.00097 (17)	−0.00116 (17)
Ag1	0.01342 (6)	0.01470 (7)	0.01467 (6)	−0.00023 (5)	0.00160 (5)	−0.00015 (5)
I1	0.02249 (7)	0.01317 (6)	0.02471 (7)	−0.00125 (5)	0.00129 (5)	0.00072 (4)

Geometric parameters (Å, º)

C237—C234	1.501 (3)	C223—H223	0.95
C237—H23A	0.98	C224—C225	1.385 (3)
C237—H23B	0.98	C224—C227	1.509 (3)
C237—H23C	0.98	C225—C226	1.391 (3)
C111—C116	1.392 (2)	C225—H225	0.95
C111—C112	1.402 (2)	C226—H226	0.95
C111—P1	1.8256 (18)	C227—H22A	0.98
C112—C113	1.388 (3)	C227—H22B	0.98
C112—H112	0.95	C227—H22C	0.98
C113—C114	1.392 (3)	C231—C232	1.392 (3)
C113—H113	0.95	C231—C236	1.394 (3)
C114—C115	1.391 (3)	C231—P2	1.8214 (18)
C114—C117	1.509 (3)	C232—C233	1.389 (3)
C115—C116	1.386 (3)	C232—H232	0.95
C115—H115	0.95	C233—C234	1.385 (3)
C116—H116	0.95	C233—H233	0.95
C117—H11A	0.98	C234—C235	1.392 (3)
C117—H11B	0.98	C235—C236	1.386 (3)
C117—H11C	0.98	C235—H235	0.95
C121—C126	1.387 (2)	C236—H236	0.95
C121—C122	1.401 (2)	C311—C312	1.394 (3)
C121—P1	1.8292 (18)	C311—C316	1.403 (2)
C122—C123	1.384 (3)	C311—P3	1.8340 (18)
C122—H122	0.95	C312—C313	1.397 (3)
C123—C124	1.393 (3)	C312—H312	0.95
C123—H123	0.95	C313—C314	1.394 (3)
C124—C125	1.391 (3)	C313—H313	0.95
C124—C127	1.511 (3)	C314—C315	1.393 (3)
C125—C126	1.395 (3)	C314—C317	1.507 (3)
C125—H125	0.95	C315—C316	1.386 (3)
C126—H126	0.95	C315—H315	0.95
C127—H12A	0.98	C316—H316	0.95
C127—H12B	0.98	C317—H31A	0.98
C127—H12C	0.98	C317—H31B	0.98
C131—C132	1.390 (2)	C317—H31C	0.98
C131—C136	1.400 (2)	C321—C326	1.396 (3)
C131—P1	1.8218 (18)	C321—C322	1.398 (3)
C132—C133	1.394 (3)	C321—P3	1.8267 (18)
C132—H132	0.95	C322—C323	1.389 (3)
C133—C134	1.387 (3)	C322—H322	0.95
C133—H133	0.95	C323—C324	1.394 (3)
C134—C135	1.390 (3)	C323—H323	0.95
C134—C137	1.511 (3)	C324—C325	1.390 (3)
C135—C136	1.388 (3)	C324—C327	1.516 (3)
C135—H135	0.95	C325—C326	1.389 (3)
C136—H136	0.95	C325—H325	0.95
C137—H13A	0.98	C326—H326	0.95
C137—H13B	0.98	C327—H32A	0.98
C137—H13C	0.98	C327—H32B	0.98
C211—C216	1.392 (3)	C327—H32C	0.98
C211—C212	1.393 (3)	C331—C332	1.394 (3)
C211—P2	1.8216 (18)	C331—C336	1.402 (3)
C212—C213	1.385 (3)	C331—P3	1.8355 (18)
C212—H212	0.95	C332—C333	1.388 (3)
C213—C214	1.388 (3)	C332—H332	0.95
C213—H213	0.95	C333—C334	1.390 (3)
C214—C215	1.383 (3)	C333—H333	0.95
C214—C217	1.510 (3)	C334—C335	1.391 (3)
C215—C216	1.393 (3)	C334—C337	1.512 (3)
C215—H215	0.95	C337—H33A	0.98
C216—H216	0.95	C337—H33B	0.98
C217—H21A	0.98	C337—H33C	0.98
C217—H21B	0.98	C335—C336	1.386 (3)
C217—H21C	0.98	C335—H336	0.95
C221—C222	1.391 (3)	C336—H337	0.95
C221—C226	1.399 (3)	P1—Ag1	2.5053 (5)
C221—P2	1.8228 (18)	P2—Ag1	2.5087 (5)
C222—C223	1.390 (3)	P3—Ag1	2.5238 (5)
C222—H222	0.95	Ag1—I1	2.8383 (4)
C223—C224	1.397 (3)
C234—C237—H23A	109.5	C224—C227—H22A	109.5
C234—C237—H23B	109.5	C224—C227—H22B	109.5
H23A—C237—H23B	109.5	H22A—C227—H22B	109.5
C234—C237—H23C	109.5	C224—C227—H22C	109.5
H23A—C237—H23C	109.5	H22A—C227—H22C	109.5
H23B—C237—H23C	109.5	H22B—C227—H22C	109.5
C116—C111—C112	118.33 (16)	C232—C231—C236	118.32 (16)
C116—C111—P1	118.10 (13)	C232—C231—P2	121.30 (14)
C112—C111—P1	123.57 (13)	C236—C231—P2	119.62 (13)
C113—C112—C111	120.54 (17)	C233—C232—C231	120.35 (18)
C113—C112—H112	119.7	C233—C232—H232	119.8
C111—C112—H112	119.7	C231—C232—H232	119.8
C112—C113—C114	120.93 (17)	C234—C233—C232	121.52 (18)
C112—C113—H113	119.5	C234—C233—H233	119.2
C114—C113—H113	119.5	C232—C233—H233	119.2
C115—C114—C113	118.32 (17)	C233—C234—C235	118.00 (17)
C115—C114—C117	120.62 (18)	C233—C234—C237	121.03 (18)
C113—C114—C117	121.07 (18)	C235—C234—C237	120.96 (18)
C116—C115—C114	121.10 (17)	C236—C235—C234	120.96 (18)
C116—C115—H115	119.4	C236—C235—H235	119.5
C114—C115—H115	119.5	C234—C235—H235	119.5
C115—C116—C111	120.72 (17)	C235—C236—C231	120.83 (17)
C115—C116—H116	119.6	C235—C236—H236	119.6
C111—C116—H116	119.6	C231—C236—H236	119.6
C114—C117—H11A	109.5	C312—C311—C316	118.06 (17)
C114—C117—H11B	109.5	C312—C311—P3	123.82 (14)
H11A—C117—H11B	109.5	C316—C311—P3	117.48 (14)
C114—C117—H11C	109.5	C311—C312—C313	120.52 (17)
H11A—C117—H11C	109.5	C311—C312—H312	119.7
H11B—C117—H11C	109.5	C313—C312—H312	119.7
C126—C121—C122	118.10 (17)	C314—C313—C312	121.54 (17)
C126—C121—P1	118.90 (14)	C314—C313—H313	119.2
C122—C121—P1	123.00 (14)	C312—C313—H313	119.2
C123—C122—C121	120.54 (17)	C315—C314—C313	117.44 (17)
C123—C122—H122	119.7	C315—C314—C317	121.60 (17)
C121—C122—H122	119.7	C313—C314—C317	120.94 (18)
C122—C123—C124	121.37 (18)	C316—C315—C314	121.68 (17)
C122—C123—H123	119.3	C316—C315—H315	119.2
C124—C123—H123	119.3	C314—C315—H315	119.2
C125—C124—C123	118.19 (18)	C315—C316—C311	120.70 (17)
C125—C124—C127	121.90 (18)	C315—C316—H316	119.7
C123—C124—C127	119.90 (18)	C311—C316—H316	119.7
C124—C125—C126	120.55 (18)	C314—C317—H31A	109.5
C124—C125—H125	119.7	C314—C317—H31B	109.5
C126—C125—H125	119.7	H31A—C317—H31B	109.5
C121—C126—C125	121.22 (17)	C314—C317—H31C	109.5
C121—C126—H126	119.4	H31A—C317—H31C	109.5
C125—C126—H126	119.4	H31B—C317—H31C	109.5
C124—C127—H12A	109.5	C326—C321—C322	118.66 (17)
C124—C127—H12B	109.5	C326—C321—P3	118.80 (14)
H12A—C127—H12B	109.5	C322—C321—P3	122.22 (14)
C124—C127—H12C	109.5	C323—C322—C321	120.36 (18)
H12A—C127—H12C	109.5	C323—C322—H322	119.8
H12B—C127—H12C	109.5	C321—C322—H322	119.8
C132—C131—C136	118.31 (16)	C322—C323—C324	121.20 (18)
C132—C131—P1	122.23 (14)	C322—C323—H323	119.4
C136—C131—P1	119.25 (13)	C324—C323—H323	119.4
C131—C132—C133	120.50 (17)	C325—C324—C323	118.06 (18)
C131—C132—H132	119.8	C325—C324—C327	121.37 (19)
C133—C132—H132	119.8	C323—C324—C327	120.57 (19)
C134—C133—C132	121.42 (18)	C326—C325—C324	121.38 (19)
C134—C133—H133	119.3	C326—C325—H325	119.3
C132—C133—H133	119.3	C324—C325—H325	119.3
C133—C134—C135	117.85 (17)	C325—C326—C321	120.32 (18)
C133—C134—C137	121.25 (18)	C325—C326—H326	119.8
C135—C134—C137	120.89 (18)	C321—C326—H326	119.8
C136—C135—C134	121.38 (18)	C324—C327—H32A	109.5
C136—C135—H135	119.3	C324—C327—H32B	109.5
C134—C135—H135	119.3	H32A—C327—H32B	109.5
C135—C136—C131	120.50 (17)	C324—C327—H32C	109.5
C135—C136—H136	119.7	H32A—C327—H32C	109.5
C131—C136—H136	119.7	H32B—C327—H32C	109.5
C134—C137—H13A	109.5	C332—C331—C336	117.64 (17)
C134—C137—H13B	109.5	C332—C331—P3	121.78 (14)
H13A—C137—H13B	109.5	C336—C331—P3	119.98 (14)
C134—C137—H13C	109.5	C333—C332—C331	120.99 (19)
H13A—C137—H13C	109.5	C333—C332—H332	119.5
H13B—C137—H13C	109.5	C331—C332—H332	119.5
C216—C211—C212	118.66 (17)	C332—C333—C334	121.51 (19)
C216—C211—P2	118.24 (13)	C332—C333—H333	119.2
C212—C211—P2	122.95 (14)	C334—C333—H333	119.2
C213—C212—C211	120.30 (19)	C333—C334—C335	117.46 (18)
C213—C212—H212	119.8	C333—C334—C337	121.4 (2)
C211—C212—H212	119.8	C335—C334—C337	121.2 (2)
C212—C213—C214	121.37 (19)	C334—C337—H33A	109.5
C212—C213—H213	119.3	C334—C337—H33B	109.5
C214—C213—H213	119.3	H33A—C337—H33B	109.5
C215—C214—C213	118.23 (18)	C334—C337—H33C	109.5
C215—C214—C217	121.51 (19)	H33A—C337—H33C	109.5
C213—C214—C217	120.24 (18)	H33B—C337—H33C	109.5
C214—C215—C216	121.05 (18)	C336—C335—C334	121.63 (19)
C214—C215—H215	119.5	C336—C335—H336	119.2
C216—C215—H215	119.5	C334—C335—H336	119.2
C211—C216—C215	120.33 (17)	C335—C336—C331	120.75 (18)
C211—C216—H216	119.8	C335—C336—H337	119.6
C215—C216—H216	119.8	C331—C336—H337	119.6
C214—C217—H21A	109.5	C131—P1—C111	102.55 (8)
C214—C217—H21B	109.5	C131—P1—C121	102.49 (8)
H21A—C217—H21B	109.5	C111—P1—C121	105.43 (8)
C214—C217—H21C	109.5	C131—P1—Ag1	113.91 (6)
H21A—C217—H21C	109.5	C111—P1—Ag1	114.66 (6)
H21B—C217—H21C	109.5	C121—P1—Ag1	116.18 (6)
C222—C221—C226	118.60 (17)	C231—P2—C211	101.81 (8)
C222—C221—P2	124.57 (14)	C231—P2—C221	106.38 (8)
C226—C221—P2	116.72 (14)	C211—P2—C221	103.67 (8)
C223—C222—C221	120.18 (18)	C231—P2—Ag1	114.12 (6)
C223—C222—H222	119.9	C211—P2—Ag1	117.81 (6)
C221—C222—H222	119.9	C221—P2—Ag1	111.78 (6)
C222—C223—C224	121.42 (18)	C321—P3—C311	103.31 (8)
C222—C223—H223	119.3	C321—P3—C331	101.89 (8)
C224—C223—H223	119.3	C311—P3—C331	107.51 (8)
C225—C224—C223	118.13 (18)	C321—P3—Ag1	119.94 (6)
C225—C224—C227	121.50 (19)	C311—P3—Ag1	112.33 (6)
C223—C224—C227	120.35 (19)	C331—P3—Ag1	110.75 (6)
C224—C225—C226	120.95 (18)	P1—Ag1—P2	111.460 (16)
C224—C225—H225	119.5	P1—Ag1—P3	114.405 (17)
C226—C225—H225	119.5	P2—Ag1—P3	112.781 (17)
C225—C226—C221	120.69 (18)	P1—Ag1—I1	103.853 (11)
C225—C226—H226	119.7	P2—Ag1—I1	101.373 (12)
C221—C226—H226	119.7	P3—Ag1—I1	111.844 (12)
C116—C111—C112—C113	2.3 (3)	C337—C334—C335—C336	−178.68 (19)
P1—C111—C112—C113	−176.83 (15)	C334—C335—C336—C331	−1.6 (3)
C111—C112—C113—C114	0.1 (3)	C332—C331—C336—C335	1.5 (3)
C112—C113—C114—C115	−1.7 (3)	P3—C331—C336—C335	172.80 (14)
C112—C113—C114—C117	178.59 (19)	C132—C131—P1—C111	136.81 (15)
C113—C114—C115—C116	1.0 (3)	C136—C131—P1—C111	−48.58 (16)
C117—C114—C115—C116	−179.32 (19)	C132—C131—P1—C121	27.64 (17)
C114—C115—C116—C111	1.4 (3)	C136—C131—P1—C121	−157.75 (14)
C112—C111—C116—C115	−3.0 (3)	C132—C131—P1—Ag1	−98.69 (15)
P1—C111—C116—C115	176.14 (15)	C136—C131—P1—Ag1	75.91 (15)
C126—C121—C122—C123	−1.0 (3)	C116—C111—P1—C131	146.23 (15)
P1—C121—C122—C123	179.75 (15)	C112—C111—P1—C131	−34.64 (17)
C121—C122—C123—C124	−0.6 (3)	C116—C111—P1—C121	−106.83 (15)
C122—C123—C124—C125	1.9 (3)	C112—C111—P1—C121	72.29 (17)
C122—C123—C124—C127	−179.15 (19)	C116—C111—P1—Ag1	22.24 (16)
C123—C124—C125—C126	−1.5 (3)	C112—C111—P1—Ag1	−158.64 (14)
C127—C124—C125—C126	179.5 (2)	C126—C121—P1—C131	−113.80 (15)
C122—C121—C126—C125	1.3 (3)	C122—C121—P1—C131	65.46 (17)
P1—C121—C126—C125	−179.35 (15)	C126—C121—P1—C111	139.22 (15)
C124—C125—C126—C121	−0.1 (3)	C122—C121—P1—C111	−41.51 (17)
C136—C131—C132—C133	1.6 (3)	C126—C121—P1—Ag1	11.05 (17)
P1—C131—C132—C133	176.21 (14)	C122—C121—P1—Ag1	−169.68 (13)
C131—C132—C133—C134	0.3 (3)	C232—C231—P2—C211	22.59 (17)
C132—C133—C134—C135	−1.4 (3)	C236—C231—P2—C211	−167.51 (15)
C132—C133—C134—C137	177.96 (19)	C232—C231—P2—C221	130.84 (15)
C133—C134—C135—C136	0.7 (3)	C236—C231—P2—C221	−59.26 (16)
C137—C134—C135—C136	−178.68 (19)	C232—C231—P2—Ag1	−105.43 (15)
C134—C135—C136—C131	1.1 (3)	C236—C231—P2—Ag1	64.47 (15)
C132—C131—C136—C135	−2.3 (3)	C216—C211—P2—C231	−100.58 (15)
P1—C131—C136—C135	−177.08 (14)	C212—C211—P2—C231	74.82 (18)
C216—C211—C212—C213	−1.5 (3)	C216—C211—P2—C221	149.09 (14)
P2—C211—C212—C213	−176.84 (17)	C212—C211—P2—C221	−35.51 (18)
C211—C212—C213—C214	0.7 (3)	C216—C211—P2—Ag1	25.04 (16)
C212—C213—C214—C215	1.4 (3)	C212—C211—P2—Ag1	−159.56 (14)
C212—C213—C214—C217	−176.7 (2)	C222—C221—P2—C231	−28.79 (18)
C213—C214—C215—C216	−2.8 (3)	C226—C221—P2—C231	154.99 (14)
C217—C214—C215—C216	175.30 (18)	C222—C221—P2—C211	78.14 (17)
C212—C211—C216—C215	0.1 (3)	C226—C221—P2—C211	−98.08 (15)
P2—C211—C216—C215	175.67 (14)	C222—C221—P2—Ag1	−153.96 (14)
C214—C215—C216—C211	2.1 (3)	C226—C221—P2—Ag1	29.82 (15)
C226—C221—C222—C223	1.9 (3)	C326—C321—P3—C311	−150.71 (15)
P2—C221—C222—C223	−174.24 (14)	C322—C321—P3—C311	35.87 (17)
C221—C222—C223—C224	−1.2 (3)	C326—C321—P3—C331	97.83 (15)
C222—C223—C224—C225	−0.5 (3)	C322—C321—P3—C331	−75.58 (17)
C222—C223—C224—C227	178.14 (19)	C326—C321—P3—Ag1	−24.79 (17)
C223—C224—C225—C226	1.5 (3)	C322—C321—P3—Ag1	161.80 (13)
C227—C224—C225—C226	−177.13 (19)	C312—C311—P3—C321	−138.15 (16)
C224—C225—C226—C221	−0.8 (3)	C316—C311—P3—C321	51.19 (15)
C222—C221—C226—C225	−0.9 (3)	C312—C311—P3—C331	−30.89 (18)
P2—C221—C226—C225	175.52 (14)	C316—C311—P3—C331	158.45 (14)
C236—C231—C232—C233	−0.2 (3)	C312—C311—P3—Ag1	91.19 (15)
P2—C231—C232—C233	169.81 (15)	C316—C311—P3—Ag1	−79.46 (14)
C231—C232—C233—C234	−0.1 (3)	C332—C331—P3—C321	−13.82 (17)
C232—C233—C234—C235	1.0 (3)	C336—C331—P3—C321	175.28 (15)
C232—C233—C234—C237	−178.65 (19)	C332—C331—P3—C311	−122.07 (16)
C233—C234—C235—C236	−1.6 (3)	C336—C331—P3—C311	67.03 (16)
C237—C234—C235—C236	178.02 (18)	C332—C331—P3—Ag1	114.87 (15)
C234—C235—C236—C231	1.4 (3)	C336—C331—P3—Ag1	−56.02 (16)
C232—C231—C236—C235	−0.4 (3)	C131—P1—Ag1—P2	43.85 (6)
P2—C231—C236—C235	−170.61 (15)	C111—P1—Ag1—P2	161.57 (6)
C316—C311—C312—C313	2.1 (3)	C121—P1—Ag1—P2	−74.94 (7)
P3—C311—C312—C313	−168.50 (14)	C131—P1—Ag1—P3	173.29 (6)
C311—C312—C313—C314	−0.7 (3)	C111—P1—Ag1—P3	−68.99 (7)
C312—C313—C314—C315	−1.5 (3)	C121—P1—Ag1—P3	54.50 (7)
C312—C313—C314—C317	176.52 (18)	C131—P1—Ag1—I1	−64.52 (6)
C313—C314—C315—C316	2.3 (3)	C111—P1—Ag1—I1	53.20 (6)
C317—C314—C315—C316	−175.70 (18)	C121—P1—Ag1—I1	176.69 (6)
C314—C315—C316—C311	−0.9 (3)	C231—P2—Ag1—P1	49.17 (7)
C312—C311—C316—C315	−1.3 (3)	C211—P2—Ag1—P1	−70.16 (7)
P3—C311—C316—C315	169.89 (14)	C221—P2—Ag1—P1	169.94 (6)
C326—C321—C322—C323	−0.7 (3)	C231—P2—Ag1—P3	−81.12 (7)
P3—C321—C322—C323	172.75 (14)	C211—P2—Ag1—P3	159.56 (7)
C321—C322—C323—C324	−0.4 (3)	C221—P2—Ag1—P3	39.65 (6)
C322—C323—C324—C325	1.1 (3)	C231—P2—Ag1—I1	159.14 (6)
C322—C323—C324—C327	−179.13 (18)	C211—P2—Ag1—I1	39.81 (7)
C323—C324—C325—C326	−0.7 (3)	C221—P2—Ag1—I1	−80.09 (6)
C327—C324—C325—C326	179.55 (18)	C321—P3—Ag1—P1	143.72 (7)
C324—C325—C326—C321	−0.4 (3)	C311—P3—Ag1—P1	−94.69 (6)
C322—C321—C326—C325	1.1 (3)	C331—P3—Ag1—P1	25.53 (7)
P3—C321—C326—C325	−172.57 (14)	C321—P3—Ag1—P2	−87.50 (7)
C336—C331—C332—C333	−1.0 (3)	C311—P3—Ag1—P2	34.08 (7)
P3—C331—C332—C333	−172.06 (15)	C331—P3—Ag1—P2	154.31 (6)
C331—C332—C333—C334	0.5 (3)	C321—P3—Ag1—I1	26.00 (7)
C332—C333—C334—C335	−0.5 (3)	C311—P3—Ag1—I1	147.59 (6)
C332—C333—C334—C337	179.3 (2)	C331—P3—Ag1—I1	−92.19 (6)
C333—C334—C335—C336	1.1 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C326—H326···I1	0.95	2.99	3.9335 (19)	172