Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520616002663/xk5028sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422430sup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422431sup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422432sup4.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422433sup5.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422434sup6.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422435sup7.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520616002663/xk5028CCDC1422436sup8.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S2052520616002663/xk5028sup9.pdf |
CCDC references: 1422430; 1422431; 1422432; 1422433; 1422434; 1422435; 1422436
For all compounds, data collection: APEX2 (Bruker AXS); cell refinement: APEX2 (Bruker AXS). Data reduction: SAINT (Bruker AXS, 2009) for CCDC1422432; SAINT (Bruker AXS) for CCDC1422433, CCDC1422434, CCDC1422435, CCDC1422430, CCDC1422436; SAINT V8.27B (Bruker AXS) for CCDC1422431. For all compounds, program(s) used to solve structure: SHELXTL V6.14 (Bruker AXS); program(s) used to refine structure: SHELXTL V6.14 (Bruker AXS); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: PLATON V1.16 (Spek, 2009), SHELXTL V6.14 (Bruker AXS).
C32H27Ag2N10O6P3·2(F6P) | Z = 2 |
Mr = 1246.23 | F(000) = 1228 |
Triclinic, P1 | Dx = 1.890 Mg m−3 |
a = 12.6372 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.9850 (4) Å | Cell parameters from 128 reflections |
c = 14.7076 (4) Å | θ = 6.3–28.9° |
α = 77.680 (1)° | µ = 1.18 mm−1 |
β = 68.355 (1)° | T = 150 K |
γ = 87.319 (1)° | Plate, clear colourless |
V = 2190.24 (11) Å3 | 0.40 × 0.24 × 0.08 mm |
Bruker APEX II Quazar three-circle diffractometer | 7707 independent reflections |
Radiation source: microfocus sealed tube | 7107 reflections with I > 2σ(I) |
Multilayer quazar mirrors monochromator | Rint = 0.047 |
Detector resolution: 8.3333 pixels mm-1 | θmax = 25.0°, θmin = 1.5° |
φ and ω scans | h = −15→15 |
Absorption correction: multi-scan SADABS (Bruker AXS) | k = −15→14 |
Tmin = 0.650, Tmax = 0.913 | l = −17→16 |
32889 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.038 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.099 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0431P)2 + 6.3238P] where P = (Fo2 + 2Fc2)/3 |
7707 reflections | (Δ/σ)max = 0.002 |
605 parameters | Δρmax = 1.37 e Å−3 |
0 restraints | Δρmin = −0.81 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.70364 (2) | 0.36935 (3) | 0.70554 (2) | 0.03503 (10) | |
Ag2 | 0.66611 (3) | 0.15202 (2) | 0.34833 (2) | 0.03458 (10) | |
C1 | −0.1552 (3) | 0.2756 (3) | 0.8475 (3) | 0.0225 (7) | |
H1 | −0.1161 | 0.2449 | 0.7915 | 0.027* | |
C2 | −0.1364 (3) | 0.2392 (3) | 0.9352 (3) | 0.0188 (7) | |
C3 | −0.1933 (3) | 0.2803 (3) | 1.0186 (3) | 0.0236 (7) | |
H3 | −0.1814 | 0.2551 | 1.0795 | 0.028* | |
C4 | −0.2683 (3) | 0.3596 (3) | 1.0103 (3) | 0.0276 (8) | |
H4 | −0.3094 | 0.3904 | 1.0658 | 0.033* | |
C5 | −0.2824 (3) | 0.3932 (3) | 0.9200 (3) | 0.0291 (8) | |
H5 | −0.3341 | 0.4477 | 0.9148 | 0.035* | |
C6 | 0.2270 (3) | −0.0206 (3) | 0.8157 (3) | 0.0214 (7) | |
H6 | 0.1705 | −0.0164 | 0.7869 | 0.026* | |
C7 | 0.2085 (3) | 0.0251 (2) | 0.8963 (2) | 0.0192 (7) | |
C8 | 0.2873 (3) | 0.0196 (3) | 0.9410 (3) | 0.0269 (8) | |
H8 | 0.2740 | 0.0489 | 0.9981 | 0.032* | |
C9 | 0.3872 (3) | −0.0306 (3) | 0.8992 (3) | 0.0331 (9) | |
H9 | 0.4452 | −0.0345 | 0.9262 | 0.040* | |
C10 | 0.4023 (3) | −0.0747 (3) | 0.8184 (3) | 0.0307 (8) | |
H10 | 0.4712 | −0.1091 | 0.7909 | 0.037* | |
C11 | 0.1668 (3) | 0.6308 (3) | 0.7795 (3) | 0.0227 (7) | |
H11 | 0.2375 | 0.5981 | 0.7721 | 0.027* | |
C12 | 0.0666 (3) | 0.5728 (3) | 0.8380 (2) | 0.0198 (7) | |
C13 | −0.0370 (3) | 0.6177 (3) | 0.8485 (3) | 0.0277 (8) | |
H13 | −0.1064 | 0.5789 | 0.8883 | 0.033* | |
C14 | −0.0365 (3) | 0.7210 (3) | 0.7991 (3) | 0.0348 (9) | |
H14 | −0.1061 | 0.7545 | 0.8035 | 0.042* | |
C15 | 0.0663 (3) | 0.7749 (3) | 0.7434 (3) | 0.0307 (8) | |
H15 | 0.0656 | 0.8463 | 0.7107 | 0.037* | |
C16 | 0.1743 (3) | 0.4877 (3) | 0.5017 (3) | 0.0224 (7) | |
H16 | 0.2291 | 0.4394 | 0.4736 | 0.027* | |
C17 | 0.0910 (3) | 0.4543 (3) | 0.5941 (2) | 0.0187 (7) | |
C18 | 0.0083 (3) | 0.5214 (3) | 0.6353 (3) | 0.0242 (7) | |
H18 | −0.0514 | 0.4980 | 0.6982 | 0.029* | |
C19 | 0.0148 (3) | 0.6236 (3) | 0.5826 (3) | 0.0302 (8) | |
H19 | −0.0402 | 0.6725 | 0.6089 | 0.036* | |
C20 | 0.1020 (3) | 0.6543 (3) | 0.4909 (3) | 0.0273 (8) | |
H20 | 0.1070 | 0.7255 | 0.4557 | 0.033* | |
C21 | 0.5211 (3) | 0.2455 (3) | 0.9026 (3) | 0.0255 (8) | |
H21 | 0.5848 | 0.2040 | 0.9035 | 0.031* | |
C22 | 0.4213 (3) | 0.2258 (3) | 0.9850 (3) | 0.0284 (8) | |
H22 | 0.4172 | 0.1728 | 1.0420 | 0.034* | |
C23 | 0.3276 (3) | 0.2838 (3) | 0.9841 (3) | 0.0274 (8) | |
H23 | 0.2575 | 0.2717 | 1.0398 | 0.033* | |
C24 | 0.3389 (3) | 0.3598 (3) | 0.8998 (3) | 0.0197 (7) | |
C25 | 0.4410 (3) | 0.3773 (3) | 0.8199 (3) | 0.0224 (7) | |
H25 | 0.4470 | 0.4306 | 0.7627 | 0.027* | |
C26 | 0.5778 (3) | 0.1458 (3) | 0.5760 (3) | 0.0284 (8) | |
H26 | 0.6496 | 0.1147 | 0.5667 | 0.034* | |
C27 | 0.5120 (3) | 0.1623 (3) | 0.6693 (3) | 0.0253 (7) | |
H27 | 0.5383 | 0.1426 | 0.7232 | 0.030* | |
C28 | 0.4069 (3) | 0.2078 (3) | 0.6844 (3) | 0.0212 (7) | |
H28 | 0.3598 | 0.2204 | 0.7481 | 0.025* | |
C29 | 0.3738 (3) | 0.2340 (2) | 0.6033 (2) | 0.0181 (7) | |
C30 | 0.4438 (3) | 0.2149 (3) | 0.5117 (3) | 0.0250 (7) | |
H30 | 0.4191 | 0.2330 | 0.4568 | 0.030* | |
C31 | 0.8287 (4) | −0.0526 (3) | 0.4471 (3) | 0.0346 (9) | |
C32 | 0.8946 (4) | −0.1332 (4) | 0.4837 (4) | 0.0478 (11) | |
H32A | 0.9195 | −0.1828 | 0.4388 | 0.072* | |
H32B | 0.8477 | −0.1711 | 0.5510 | 0.072* | |
H32C | 0.9615 | −0.1003 | 0.4861 | 0.072* | |
F1 | 0.5003 (4) | 0.6975 (4) | 0.7383 (3) | 0.1052 (16) | |
F2 | 0.7307 (3) | 0.6029 (4) | 0.7527 (3) | 0.127 (2) | |
F3 | 0.6111 (3) | 0.5734 (2) | 0.6814 (2) | 0.0700 (9) | |
F4 | 0.5460 (2) | 0.5713 (2) | 0.8461 (2) | 0.0613 (8) | |
F5 | 0.6216 (7) | 0.7316 (4) | 0.8102 (4) | 0.170 (3) | |
F6 | 0.6880 (4) | 0.7311 (3) | 0.6460 (3) | 0.1099 (17) | |
F7 | 0.6925 (4) | 0.0607 (4) | 0.8354 (3) | 0.1185 (18) | |
F8 | 0.8831 (3) | −0.0315 (4) | 0.6694 (3) | 0.0969 (13) | |
F9 | 0.7727 (3) | −0.0938 (2) | 0.8238 (2) | 0.0691 (9) | |
F10 | 0.6949 (3) | −0.0154 (3) | 0.7133 (4) | 0.0954 (14) | |
F11 | 0.7969 (4) | 0.1306 (3) | 0.6822 (3) | 0.1082 (15) | |
F12 | 0.8802 (4) | 0.0505 (3) | 0.7849 (4) | 0.1188 (19) | |
N1 | 0.1026 (2) | 0.2736 (2) | 0.93085 (19) | 0.0173 (6) | |
N2 | 0.2056 (2) | 0.3897 (2) | 0.7441 (2) | 0.0175 (6) | |
N3 | 0.1135 (2) | 0.1958 (2) | 0.7721 (2) | 0.0175 (6) | |
N4 | −0.2265 (2) | 0.3526 (3) | 0.8390 (2) | 0.0285 (7) | |
N5 | 0.3229 (2) | −0.0709 (2) | 0.7770 (2) | 0.0253 (6) | |
N6 | 0.5450 (3) | 0.1718 (3) | 0.4976 (2) | 0.0277 (7) | |
N7 | 0.1799 (2) | 0.5873 (2) | 0.4500 (2) | 0.0251 (6) | |
N8 | 0.1669 (3) | 0.7310 (2) | 0.7333 (2) | 0.0251 (6) | |
N9 | 0.5321 (2) | 0.3208 (2) | 0.8210 (2) | 0.0248 (6) | |
N10 | 0.7780 (4) | 0.0104 (3) | 0.4170 (3) | 0.0508 (10) | |
O1 | 0.24810 (19) | 0.42395 (17) | 0.89527 (17) | 0.0199 (5) | |
O2 | 0.06235 (19) | 0.46913 (18) | 0.89021 (17) | 0.0206 (5) | |
O3 | 0.10442 (19) | 0.07092 (18) | 0.93818 (17) | 0.0214 (5) | |
O4 | −0.06339 (18) | 0.15625 (17) | 0.94144 (17) | 0.0199 (5) | |
O5 | 0.27246 (18) | 0.28164 (18) | 0.60444 (16) | 0.0198 (5) | |
O6 | 0.08385 (18) | 0.34899 (17) | 0.64455 (16) | 0.0183 (5) | |
P1 | 0.15470 (7) | 0.38271 (6) | 0.86127 (6) | 0.01496 (17) | |
P2 | 0.16905 (7) | 0.30287 (6) | 0.69935 (6) | 0.01487 (17) | |
P3 | 0.06979 (7) | 0.18092 (6) | 0.88994 (6) | 0.01538 (17) | |
P4 | 0.61491 (12) | 0.65333 (9) | 0.74735 (9) | 0.0466 (3) | |
P5 | 0.78766 (9) | 0.01775 (8) | 0.74983 (8) | 0.0325 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.02111 (16) | 0.0480 (2) | 0.02274 (16) | 0.00383 (12) | 0.00044 (12) | 0.00413 (13) |
Ag2 | 0.03466 (18) | 0.03822 (18) | 0.02299 (16) | 0.01460 (13) | 0.00018 (13) | −0.01252 (13) |
C1 | 0.0127 (16) | 0.0328 (19) | 0.0201 (17) | 0.0014 (13) | −0.0028 (13) | −0.0079 (14) |
C2 | 0.0134 (15) | 0.0178 (16) | 0.0231 (17) | −0.0021 (12) | −0.0041 (13) | −0.0041 (13) |
C3 | 0.0229 (18) | 0.0262 (18) | 0.0207 (17) | 0.0020 (14) | −0.0059 (14) | −0.0068 (14) |
C4 | 0.0240 (18) | 0.0273 (19) | 0.032 (2) | 0.0052 (15) | −0.0068 (16) | −0.0143 (16) |
C5 | 0.0195 (18) | 0.0297 (19) | 0.038 (2) | 0.0061 (15) | −0.0115 (16) | −0.0062 (16) |
C6 | 0.0195 (17) | 0.0184 (16) | 0.0235 (18) | 0.0019 (13) | −0.0059 (14) | −0.0022 (13) |
C7 | 0.0178 (16) | 0.0148 (15) | 0.0187 (16) | 0.0046 (12) | −0.0008 (13) | −0.0022 (13) |
C8 | 0.032 (2) | 0.0234 (18) | 0.0274 (19) | 0.0064 (15) | −0.0136 (16) | −0.0052 (15) |
C9 | 0.029 (2) | 0.033 (2) | 0.042 (2) | 0.0091 (16) | −0.0191 (18) | −0.0081 (18) |
C10 | 0.0222 (18) | 0.0263 (19) | 0.039 (2) | 0.0096 (15) | −0.0073 (16) | −0.0068 (16) |
C11 | 0.0212 (17) | 0.0219 (17) | 0.0269 (18) | 0.0067 (13) | −0.0103 (15) | −0.0083 (14) |
C12 | 0.0263 (18) | 0.0172 (16) | 0.0187 (17) | 0.0070 (13) | −0.0092 (14) | −0.0089 (13) |
C13 | 0.0210 (18) | 0.0298 (19) | 0.0253 (19) | 0.0099 (15) | −0.0011 (15) | −0.0065 (15) |
C14 | 0.028 (2) | 0.033 (2) | 0.034 (2) | 0.0181 (16) | −0.0045 (17) | −0.0041 (17) |
C15 | 0.037 (2) | 0.0226 (18) | 0.029 (2) | 0.0124 (16) | −0.0093 (17) | −0.0054 (15) |
C16 | 0.0193 (17) | 0.0269 (18) | 0.0201 (17) | 0.0071 (14) | −0.0066 (14) | −0.0056 (14) |
C17 | 0.0189 (16) | 0.0234 (17) | 0.0176 (16) | 0.0030 (13) | −0.0108 (14) | −0.0052 (13) |
C18 | 0.0214 (17) | 0.0314 (19) | 0.0159 (17) | 0.0065 (14) | −0.0033 (14) | −0.0046 (14) |
C19 | 0.034 (2) | 0.031 (2) | 0.0239 (19) | 0.0142 (16) | −0.0088 (16) | −0.0075 (15) |
C20 | 0.031 (2) | 0.0243 (18) | 0.0255 (19) | 0.0056 (15) | −0.0120 (16) | −0.0017 (15) |
C21 | 0.0220 (18) | 0.0261 (18) | 0.030 (2) | 0.0049 (14) | −0.0119 (16) | −0.0064 (15) |
C22 | 0.0256 (19) | 0.031 (2) | 0.0224 (18) | 0.0040 (15) | −0.0063 (15) | 0.0026 (15) |
C23 | 0.0234 (18) | 0.034 (2) | 0.0195 (18) | 0.0039 (15) | −0.0041 (15) | −0.0025 (15) |
C24 | 0.0190 (16) | 0.0222 (17) | 0.0234 (17) | 0.0038 (13) | −0.0109 (14) | −0.0111 (14) |
C25 | 0.0204 (17) | 0.0257 (18) | 0.0231 (18) | −0.0023 (14) | −0.0107 (14) | −0.0036 (14) |
C26 | 0.0193 (18) | 0.035 (2) | 0.029 (2) | 0.0111 (15) | −0.0061 (15) | −0.0099 (16) |
C27 | 0.0246 (18) | 0.0306 (19) | 0.0228 (18) | 0.0071 (15) | −0.0109 (15) | −0.0078 (15) |
C28 | 0.0213 (17) | 0.0235 (17) | 0.0176 (17) | 0.0032 (13) | −0.0041 (14) | −0.0084 (14) |
C29 | 0.0156 (16) | 0.0174 (16) | 0.0196 (17) | 0.0035 (12) | −0.0044 (13) | −0.0046 (13) |
C30 | 0.0234 (18) | 0.035 (2) | 0.0164 (17) | 0.0083 (15) | −0.0064 (14) | −0.0079 (14) |
C31 | 0.036 (2) | 0.032 (2) | 0.030 (2) | 0.0084 (18) | −0.0067 (18) | −0.0058 (17) |
C32 | 0.053 (3) | 0.036 (2) | 0.060 (3) | 0.014 (2) | −0.031 (2) | −0.007 (2) |
F1 | 0.130 (3) | 0.134 (3) | 0.051 (2) | 0.093 (3) | −0.037 (2) | −0.028 (2) |
F2 | 0.057 (2) | 0.178 (5) | 0.111 (3) | −0.023 (3) | −0.040 (2) | 0.067 (3) |
F3 | 0.080 (2) | 0.0592 (19) | 0.0559 (19) | 0.0076 (16) | 0.0026 (16) | −0.0313 (15) |
F4 | 0.0532 (17) | 0.072 (2) | 0.0435 (16) | 0.0108 (14) | −0.0106 (13) | 0.0048 (14) |
F5 | 0.383 (10) | 0.077 (3) | 0.116 (4) | −0.019 (4) | −0.160 (6) | −0.028 (3) |
F6 | 0.153 (4) | 0.097 (3) | 0.087 (3) | −0.073 (3) | −0.082 (3) | 0.049 (2) |
F7 | 0.131 (4) | 0.111 (3) | 0.073 (3) | 0.080 (3) | 0.003 (2) | −0.026 (2) |
F8 | 0.090 (3) | 0.120 (3) | 0.054 (2) | 0.019 (2) | 0.0109 (19) | −0.035 (2) |
F9 | 0.065 (2) | 0.0518 (17) | 0.067 (2) | 0.0171 (15) | −0.0120 (16) | 0.0107 (15) |
F10 | 0.096 (3) | 0.067 (2) | 0.165 (4) | 0.0062 (19) | −0.101 (3) | −0.017 (2) |
F11 | 0.147 (4) | 0.055 (2) | 0.116 (3) | −0.025 (2) | −0.069 (3) | 0.040 (2) |
F12 | 0.125 (4) | 0.081 (3) | 0.229 (6) | 0.022 (2) | −0.138 (4) | −0.069 (3) |
N1 | 0.0177 (13) | 0.0195 (14) | 0.0131 (13) | 0.0019 (11) | −0.0034 (11) | −0.0050 (11) |
N2 | 0.0147 (13) | 0.0187 (14) | 0.0169 (14) | −0.0002 (10) | −0.0033 (11) | −0.0035 (11) |
N3 | 0.0196 (14) | 0.0166 (13) | 0.0165 (14) | 0.0029 (11) | −0.0052 (11) | −0.0072 (11) |
N4 | 0.0185 (15) | 0.0404 (18) | 0.0268 (17) | 0.0044 (13) | −0.0098 (13) | −0.0054 (14) |
N5 | 0.0224 (15) | 0.0212 (15) | 0.0279 (16) | 0.0052 (12) | −0.0024 (13) | −0.0093 (12) |
N6 | 0.0224 (15) | 0.0386 (18) | 0.0204 (15) | 0.0114 (13) | −0.0035 (13) | −0.0126 (13) |
N7 | 0.0215 (15) | 0.0311 (16) | 0.0176 (15) | 0.0018 (12) | −0.0047 (12) | 0.0009 (12) |
N8 | 0.0286 (16) | 0.0215 (15) | 0.0246 (16) | 0.0048 (12) | −0.0089 (13) | −0.0062 (12) |
N9 | 0.0176 (14) | 0.0333 (17) | 0.0224 (15) | 0.0001 (12) | −0.0070 (12) | −0.0038 (13) |
N10 | 0.052 (2) | 0.050 (2) | 0.039 (2) | 0.021 (2) | −0.0099 (19) | −0.0012 (18) |
O1 | 0.0194 (12) | 0.0184 (11) | 0.0264 (13) | 0.0044 (9) | −0.0116 (10) | −0.0089 (10) |
O2 | 0.0177 (11) | 0.0197 (12) | 0.0212 (12) | 0.0055 (9) | −0.0030 (10) | −0.0060 (9) |
O3 | 0.0210 (12) | 0.0182 (11) | 0.0173 (12) | 0.0053 (9) | 0.0000 (9) | −0.0014 (9) |
O4 | 0.0150 (11) | 0.0175 (11) | 0.0232 (12) | 0.0014 (9) | −0.0034 (10) | −0.0029 (9) |
O5 | 0.0153 (11) | 0.0274 (12) | 0.0142 (11) | 0.0061 (9) | −0.0025 (9) | −0.0055 (9) |
O6 | 0.0159 (11) | 0.0199 (11) | 0.0186 (12) | 0.0018 (9) | −0.0068 (9) | −0.0028 (9) |
P1 | 0.0136 (4) | 0.0157 (4) | 0.0157 (4) | 0.0030 (3) | −0.0046 (3) | −0.0054 (3) |
P2 | 0.0135 (4) | 0.0170 (4) | 0.0128 (4) | 0.0031 (3) | −0.0028 (3) | −0.0044 (3) |
P3 | 0.0144 (4) | 0.0143 (4) | 0.0144 (4) | 0.0025 (3) | −0.0017 (3) | −0.0037 (3) |
P4 | 0.0748 (9) | 0.0301 (6) | 0.0391 (7) | 0.0015 (5) | −0.0279 (6) | −0.0033 (5) |
P5 | 0.0317 (5) | 0.0316 (5) | 0.0330 (6) | 0.0031 (4) | −0.0112 (4) | −0.0057 (4) |
Ag1—N7i | 2.182 (3) | C21—H21 | 0.9500 |
Ag1—N9 | 2.222 (3) | C22—C23 | 1.376 (5) |
Ag1—N4ii | 2.400 (3) | C22—H22 | 0.9500 |
Ag2—N6 | 2.226 (3) | C23—C24 | 1.376 (5) |
Ag2—N5iii | 2.270 (3) | C23—H23 | 0.9500 |
Ag2—N8i | 2.419 (3) | C24—C25 | 1.376 (5) |
Ag2—N10 | 2.534 (4) | C24—O1 | 1.399 (4) |
C1—N4 | 1.331 (5) | C25—N9 | 1.340 (4) |
C1—C2 | 1.378 (5) | C25—H25 | 0.9500 |
C1—H1 | 0.9500 | C26—N6 | 1.338 (5) |
C2—C3 | 1.378 (5) | C26—C27 | 1.374 (5) |
C2—O4 | 1.395 (4) | C26—H26 | 0.9500 |
C3—C4 | 1.384 (5) | C27—C28 | 1.389 (5) |
C3—H3 | 0.9500 | C27—H27 | 0.9500 |
C4—C5 | 1.381 (5) | C28—C29 | 1.377 (5) |
C4—H4 | 0.9500 | C28—H28 | 0.9500 |
C5—N4 | 1.345 (5) | C29—C30 | 1.379 (5) |
C5—H5 | 0.9500 | C29—O5 | 1.392 (4) |
C6—N5 | 1.340 (4) | C30—N6 | 1.332 (5) |
C6—C7 | 1.378 (5) | C30—H30 | 0.9500 |
C6—H6 | 0.9500 | C31—N10 | 1.131 (5) |
C7—C8 | 1.374 (5) | C31—C32 | 1.445 (6) |
C7—O3 | 1.395 (4) | C32—H32A | 0.9800 |
C8—C9 | 1.384 (5) | C32—H32B | 0.9800 |
C8—H8 | 0.9500 | C32—H32C | 0.9800 |
C9—C10 | 1.374 (6) | F1—P4 | 1.574 (4) |
C9—H9 | 0.9500 | F2—P4 | 1.597 (4) |
C10—N5 | 1.347 (5) | F3—P4 | 1.578 (3) |
C10—H10 | 0.9500 | F4—P4 | 1.580 (3) |
C11—N8 | 1.334 (4) | F5—P4 | 1.537 (4) |
C11—C12 | 1.385 (5) | F6—P4 | 1.589 (4) |
C11—H11 | 0.9500 | F7—P5 | 1.569 (3) |
C12—C13 | 1.376 (5) | F8—P5 | 1.568 (3) |
C12—O2 | 1.393 (4) | F9—P5 | 1.587 (3) |
C13—C14 | 1.382 (5) | F10—P5 | 1.568 (3) |
C13—H13 | 0.9500 | F11—P5 | 1.568 (3) |
C14—C15 | 1.380 (6) | F12—P5 | 1.549 (3) |
C14—H14 | 0.9500 | N1—P1 | 1.568 (3) |
C15—N8 | 1.339 (5) | N1—P3 | 1.588 (3) |
C15—H15 | 0.9500 | N2—P2 | 1.583 (3) |
C16—N7 | 1.343 (5) | N2—P1 | 1.586 (3) |
C16—C17 | 1.371 (5) | N3—P2 | 1.572 (3) |
C16—H16 | 0.9500 | N3—P3 | 1.583 (3) |
C17—C18 | 1.376 (5) | N4—Ag1iv | 2.400 (3) |
C17—O6 | 1.399 (4) | N5—Ag2iii | 2.270 (3) |
C18—C19 | 1.375 (5) | N7—Ag1i | 2.182 (3) |
C18—H18 | 0.9500 | N8—Ag2i | 2.419 (3) |
C19—C20 | 1.380 (5) | O1—P1 | 1.593 (2) |
C19—H19 | 0.9500 | O2—P1 | 1.587 (2) |
C20—N7 | 1.340 (5) | O3—P3 | 1.573 (2) |
C20—H20 | 0.9500 | O4—P3 | 1.586 (2) |
C21—N9 | 1.344 (5) | O5—P2 | 1.587 (2) |
C21—C22 | 1.377 (5) | O6—P2 | 1.594 (2) |
N7i—Ag1—N9 | 151.70 (11) | C29—C28—H28 | 121.4 |
N7i—Ag1—N4ii | 120.33 (11) | C27—C28—H28 | 121.4 |
N9—Ag1—N4ii | 87.91 (10) | C28—C29—C30 | 120.2 (3) |
N6—Ag2—N5iii | 140.42 (11) | C28—C29—O5 | 125.0 (3) |
N6—Ag2—N8i | 117.99 (11) | C30—C29—O5 | 114.8 (3) |
N5iii—Ag2—N8i | 100.61 (10) | N6—C30—C29 | 122.2 (3) |
N6—Ag2—N10 | 95.13 (12) | N6—C30—H30 | 118.9 |
N5iii—Ag2—N10 | 92.23 (12) | C29—C30—H30 | 118.9 |
N8i—Ag2—N10 | 91.34 (12) | N10—C31—C32 | 179.0 (5) |
N4—C1—C2 | 121.9 (3) | C31—C32—H32A | 109.5 |
N4—C1—H1 | 119.1 | C31—C32—H32B | 109.5 |
C2—C1—H1 | 119.1 | H32A—C32—H32B | 109.5 |
C1—C2—C3 | 120.7 (3) | C31—C32—H32C | 109.5 |
C1—C2—O4 | 119.8 (3) | H32A—C32—H32C | 109.5 |
C3—C2—O4 | 119.4 (3) | H32B—C32—H32C | 109.5 |
C2—C3—C4 | 117.6 (3) | P1—N1—P3 | 122.44 (17) |
C2—C3—H3 | 121.2 | P2—N2—P1 | 119.57 (17) |
C4—C3—H3 | 121.2 | P2—N3—P3 | 122.29 (17) |
C5—C4—C3 | 118.8 (3) | C1—N4—C5 | 117.9 (3) |
C5—C4—H4 | 120.6 | C1—N4—Ag1iv | 117.6 (2) |
C3—C4—H4 | 120.6 | C5—N4—Ag1iv | 121.1 (2) |
N4—C5—C4 | 123.1 (3) | C6—N5—C10 | 118.2 (3) |
N4—C5—H5 | 118.4 | C6—N5—Ag2iii | 116.8 (2) |
C4—C5—H5 | 118.4 | C10—N5—Ag2iii | 124.9 (2) |
N5—C6—C7 | 121.5 (3) | C30—N6—C26 | 118.1 (3) |
N5—C6—H6 | 119.3 | C30—N6—Ag2 | 123.1 (2) |
C7—C6—H6 | 119.3 | C26—N6—Ag2 | 118.6 (2) |
C8—C7—C6 | 121.1 (3) | C20—N7—C16 | 118.5 (3) |
C8—C7—O3 | 119.2 (3) | C20—N7—Ag1i | 120.8 (2) |
C6—C7—O3 | 119.6 (3) | C16—N7—Ag1i | 120.0 (2) |
C7—C8—C9 | 117.0 (3) | C11—N8—C15 | 118.0 (3) |
C7—C8—H8 | 121.5 | C11—N8—Ag2i | 124.8 (2) |
C9—C8—H8 | 121.5 | C15—N8—Ag2i | 116.6 (2) |
C10—C9—C8 | 120.0 (3) | C25—N9—C21 | 118.1 (3) |
C10—C9—H9 | 120.0 | C25—N9—Ag1 | 120.8 (2) |
C8—C9—H9 | 120.0 | C21—N9—Ag1 | 120.1 (2) |
N5—C10—C9 | 122.3 (3) | C31—N10—Ag2 | 179.5 (4) |
N5—C10—H10 | 118.9 | C24—O1—P1 | 119.08 (19) |
C9—C10—H10 | 118.9 | C12—O2—P1 | 126.9 (2) |
N8—C11—C12 | 121.9 (3) | C7—O3—P3 | 124.1 (2) |
N8—C11—H11 | 119.0 | C2—O4—P3 | 118.23 (19) |
C12—C11—H11 | 119.0 | C29—O5—P2 | 127.1 (2) |
C13—C12—C11 | 120.2 (3) | C17—O6—P2 | 122.26 (19) |
C13—C12—O2 | 115.9 (3) | N1—P1—N2 | 117.77 (14) |
C11—C12—O2 | 123.9 (3) | N1—P1—O2 | 108.03 (13) |
C12—C13—C14 | 117.7 (3) | N2—P1—O2 | 111.35 (14) |
C12—C13—H13 | 121.1 | N1—P1—O1 | 109.39 (13) |
C14—C13—H13 | 121.1 | N2—P1—O1 | 109.72 (14) |
C15—C14—C13 | 119.3 (3) | O2—P1—O1 | 98.93 (12) |
C15—C14—H14 | 120.4 | N3—P2—N2 | 118.27 (14) |
C13—C14—H14 | 120.4 | N3—P2—O5 | 110.56 (13) |
N8—C15—C14 | 122.9 (3) | N2—P2—O5 | 109.97 (13) |
N8—C15—H15 | 118.6 | N3—P2—O6 | 106.92 (13) |
C14—C15—H15 | 118.6 | N2—P2—O6 | 111.01 (13) |
N7—C16—C17 | 121.3 (3) | O5—P2—O6 | 98.22 (12) |
N7—C16—H16 | 119.3 | O3—P3—N3 | 110.58 (13) |
C17—C16—H16 | 119.3 | O3—P3—O4 | 95.37 (12) |
C16—C17—C18 | 120.7 (3) | N3—P3—O4 | 112.18 (14) |
C16—C17—O6 | 120.3 (3) | O3—P3—N1 | 111.36 (14) |
C18—C17—O6 | 118.9 (3) | N3—P3—N1 | 116.16 (14) |
C19—C18—C17 | 117.8 (3) | O4—P3—N1 | 109.29 (13) |
C19—C18—H18 | 121.1 | F5—P4—F1 | 93.4 (3) |
C17—C18—H18 | 121.1 | F5—P4—F3 | 178.7 (4) |
C18—C19—C20 | 119.4 (3) | F1—P4—F3 | 87.6 (2) |
C18—C19—H19 | 120.3 | F5—P4—F4 | 90.1 (3) |
C20—C19—H19 | 120.3 | F1—P4—F4 | 90.5 (2) |
N7—C20—C19 | 122.2 (3) | F3—P4—F4 | 90.74 (18) |
N7—C20—H20 | 118.9 | F5—P4—F6 | 91.9 (3) |
C19—C20—H20 | 118.9 | F1—P4—F6 | 91.5 (2) |
N9—C21—C22 | 122.8 (3) | F3—P4—F6 | 87.2 (2) |
N9—C21—H21 | 118.6 | F4—P4—F6 | 177.1 (3) |
C22—C21—H21 | 118.6 | F5—P4—F2 | 90.3 (4) |
C23—C22—C21 | 119.3 (3) | F1—P4—F2 | 176.3 (3) |
C23—C22—H22 | 120.4 | F3—P4—F2 | 88.7 (3) |
C21—C22—H22 | 120.4 | F4—P4—F2 | 89.33 (18) |
C24—C23—C22 | 117.7 (3) | F6—P4—F2 | 88.6 (2) |
C24—C23—H23 | 121.1 | F12—P5—F10 | 179.5 (3) |
C22—C23—H23 | 121.1 | F12—P5—F8 | 88.6 (3) |
C25—C24—C23 | 120.7 (3) | F10—P5—F8 | 90.9 (3) |
C25—C24—O1 | 118.6 (3) | F12—P5—F11 | 90.2 (3) |
C23—C24—O1 | 120.6 (3) | F10—P5—F11 | 89.7 (2) |
N9—C25—C24 | 121.4 (3) | F8—P5—F11 | 96.2 (3) |
N9—C25—H25 | 119.3 | F12—P5—F7 | 90.6 (3) |
C24—C25—H25 | 119.3 | F10—P5—F7 | 89.9 (3) |
N6—C26—C27 | 122.7 (3) | F8—P5—F7 | 176.4 (2) |
N6—C26—H26 | 118.7 | F11—P5—F7 | 87.3 (3) |
C27—C26—H26 | 118.7 | F12—P5—F9 | 89.7 (2) |
C26—C27—C28 | 119.6 (3) | F10—P5—F9 | 90.5 (2) |
C26—C27—H27 | 120.2 | F8—P5—F9 | 87.2 (2) |
C28—C27—H27 | 120.2 | F11—P5—F9 | 176.5 (2) |
C29—C28—C27 | 117.2 (3) | F7—P5—F9 | 89.2 (2) |
N4—C1—C2—C3 | 1.4 (5) | C14—C15—N8—Ag2i | −171.6 (3) |
N4—C1—C2—O4 | 178.1 (3) | C24—C25—N9—C21 | 0.4 (5) |
C1—C2—C3—C4 | −0.7 (5) | C24—C25—N9—Ag1 | −168.2 (2) |
O4—C2—C3—C4 | −177.5 (3) | C22—C21—N9—C25 | −1.3 (5) |
C2—C3—C4—C5 | 0.1 (5) | C22—C21—N9—Ag1 | 167.4 (3) |
C3—C4—C5—N4 | 0.0 (6) | N7i—Ag1—N9—C25 | −54.1 (4) |
N5—C6—C7—C8 | −0.9 (5) | N4ii—Ag1—N9—C25 | 129.6 (3) |
N5—C6—C7—O3 | −176.0 (3) | N7i—Ag1—N9—C21 | 137.5 (3) |
C6—C7—C8—C9 | 2.2 (5) | N4ii—Ag1—N9—C21 | −38.8 (3) |
O3—C7—C8—C9 | 177.3 (3) | C32—C31—N10—Ag2 | −2E1 (8) |
C7—C8—C9—C10 | −1.9 (6) | N6—Ag2—N10—C31 | −16E1 (5) |
C8—C9—C10—N5 | 0.3 (6) | N5iii—Ag2—N10—C31 | 6E1 (5) |
N8—C11—C12—C13 | 1.2 (5) | N8i—Ag2—N10—C31 | −4E1 (5) |
N8—C11—C12—O2 | −177.8 (3) | C25—C24—O1—P1 | 97.1 (3) |
C11—C12—C13—C14 | 0.0 (5) | C23—C24—O1—P1 | −85.6 (4) |
O2—C12—C13—C14 | 179.0 (3) | C13—C12—O2—P1 | 152.4 (3) |
C12—C13—C14—C15 | −1.1 (6) | C11—C12—O2—P1 | −28.6 (4) |
C13—C14—C15—N8 | 1.1 (6) | C8—C7—O3—P3 | 108.7 (3) |
N7—C16—C17—C18 | 2.1 (5) | C6—C7—O3—P3 | −76.1 (4) |
N7—C16—C17—O6 | 177.1 (3) | C1—C2—O4—P3 | 77.0 (3) |
C16—C17—C18—C19 | −2.5 (5) | C3—C2—O4—P3 | −106.2 (3) |
O6—C17—C18—C19 | −177.6 (3) | C28—C29—O5—P2 | −7.9 (5) |
C17—C18—C19—C20 | 0.8 (5) | C30—C29—O5—P2 | 173.1 (2) |
C18—C19—C20—N7 | 1.5 (6) | C16—C17—O6—P2 | 76.3 (3) |
N9—C21—C22—C23 | 1.3 (6) | C18—C17—O6—P2 | −108.6 (3) |
C21—C22—C23—C24 | −0.3 (6) | P3—N1—P1—N2 | −16.3 (3) |
C22—C23—C24—C25 | −0.6 (5) | P3—N1—P1—O2 | 110.88 (19) |
C22—C23—C24—O1 | −177.8 (3) | P3—N1—P1—O1 | −142.40 (18) |
C23—C24—C25—N9 | 0.5 (5) | P2—N2—P1—N1 | 19.4 (2) |
O1—C24—C25—N9 | 177.9 (3) | P2—N2—P1—O2 | −106.17 (19) |
N6—C26—C27—C28 | −0.1 (6) | P2—N2—P1—O1 | 145.34 (17) |
C26—C27—C28—C29 | 0.3 (5) | C12—O2—P1—N1 | −169.8 (3) |
C27—C28—C29—C30 | 0.0 (5) | C12—O2—P1—N2 | −39.0 (3) |
C27—C28—C29—O5 | −178.9 (3) | C12—O2—P1—O1 | 76.3 (3) |
C28—C29—C30—N6 | −0.5 (5) | C24—O1—P1—N1 | 56.0 (3) |
O5—C29—C30—N6 | 178.5 (3) | C24—O1—P1—N2 | −74.6 (3) |
C2—C1—N4—C5 | −1.3 (5) | C24—O1—P1—O2 | 168.8 (2) |
C2—C1—N4—Ag1iv | −160.7 (3) | P3—N3—P2—N2 | 13.0 (3) |
C4—C5—N4—C1 | 0.7 (5) | P3—N3—P2—O5 | 141.02 (18) |
C4—C5—N4—Ag1iv | 159.2 (3) | P3—N3—P2—O6 | −113.09 (19) |
C7—C6—N5—C10 | −0.7 (5) | P1—N2—P2—N3 | −17.8 (2) |
C7—C6—N5—Ag2iii | 175.6 (2) | P1—N2—P2—O5 | −146.13 (17) |
C9—C10—N5—C6 | 1.0 (5) | P1—N2—P2—O6 | 106.26 (19) |
C9—C10—N5—Ag2iii | −175.0 (3) | C29—O5—P2—N3 | −64.0 (3) |
C29—C30—N6—C26 | 0.7 (6) | C29—O5—P2—N2 | 68.4 (3) |
C29—C30—N6—Ag2 | −174.8 (3) | C29—O5—P2—O6 | −175.6 (3) |
C27—C26—N6—C30 | −0.4 (6) | C17—O6—P2—N3 | 163.5 (2) |
C27—C26—N6—Ag2 | 175.3 (3) | C17—O6—P2—N2 | 33.2 (3) |
N5iii—Ag2—N6—C30 | −60.0 (4) | C17—O6—P2—O5 | −81.9 (2) |
N8i—Ag2—N6—C30 | 105.9 (3) | C7—O3—P3—N3 | 38.6 (3) |
N10—Ag2—N6—C30 | −159.8 (3) | C7—O3—P3—O4 | 154.7 (3) |
N5iii—Ag2—N6—C26 | 124.5 (3) | C7—O3—P3—N1 | −92.1 (3) |
N8i—Ag2—N6—C26 | −69.5 (3) | P2—N3—P3—O3 | −137.55 (18) |
N10—Ag2—N6—C26 | 24.7 (3) | P2—N3—P3—O4 | 117.33 (19) |
C19—C20—N7—C16 | −2.0 (5) | P2—N3—P3—N1 | −9.4 (3) |
C19—C20—N7—Ag1i | 168.6 (3) | C2—O4—P3—O3 | 169.4 (2) |
C17—C16—N7—C20 | 0.2 (5) | C2—O4—P3—N3 | −75.8 (3) |
C17—C16—N7—Ag1i | −170.4 (2) | C2—O4—P3—N1 | 54.5 (3) |
C12—C11—N8—C15 | −1.2 (5) | P1—N1—P3—O3 | 138.90 (18) |
C12—C11—N8—Ag2i | 169.7 (2) | P1—N1—P3—N3 | 11.1 (3) |
C14—C15—N8—C11 | 0.0 (6) | P1—N1—P3—O4 | −117.02 (19) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x+1, y, z; (iii) −x+1, −y, −z+1; (iv) x−1, y, z. |
C32H27Ag2Cl2N10O14P3 | Z = 2 |
Mr = 1155.18 | F(000) = 1148 |
Triclinic, P1 | Dx = 1.789 Mg m−3 |
a = 12.7463 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.7843 (3) Å | Cell parameters from 151 reflections |
c = 14.4175 (4) Å | θ = 2.9–29.4° |
α = 69.521 (1)° | µ = 1.23 mm−1 |
β = 77.152 (1)° | T = 150 K |
γ = 87.168 (1)° | Block, clear colourless |
V = 2144.75 (10) Å3 | 0.20 × 0.19 × 0.08 mm |
Bruker APEX II QUAZAR three-circle diffractometer | 7637 independent reflections |
Multilayer QUAZAR mirrors monochromator | 6869 reflections with I > 2σ(I) |
Detector resolution: 8.3333 pixels mm-1 | Rint = 0.038 |
φ and ω scans | θmax = 25.1°, θmin = 1.5° |
Absorption correction: multi-scan SADABS (Bruker AXS) | h = −15→15 |
Tmin = 0.79, Tmax = 0.91 | k = −15→14 |
30873 measured reflections | l = −17→17 |
Refinement on F2 | 6 restraints |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.037 | H-atom parameters constrained |
wR(F2) = 0.097 | w = 1/[σ2(Fo2) + (0.0431P)2 + 5.4001P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.001 |
7637 reflections | Δρmax = 1.26 e Å−3 |
524 parameters | Δρmin = −1.14 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.36001 (3) | 0.69163 (2) | 0.20766 (2) | 0.03808 (10) | |
Ag2 | 0.84941 (2) | 0.34675 (2) | 0.15598 (2) | 0.03555 (10) | |
C1 | 0.7886 (3) | 0.0782 (3) | 0.2419 (3) | 0.0344 (9) | |
H1 | 0.8622 | 0.0793 | 0.2092 | 0.041* | |
C2 | 0.7387 (3) | −0.0236 (4) | 0.3025 (3) | 0.0416 (10) | |
H2 | 0.7774 | −0.0906 | 0.3119 | 0.05* | |
C3 | 0.6309 (3) | −0.0263 (3) | 0.3495 (3) | 0.0331 (9) | |
H3 | 0.5939 | −0.095 | 0.3917 | 0.04* | |
C4 | 0.5793 (3) | 0.0730 (3) | 0.3334 (2) | 0.0232 (7) | |
C5 | 0.6347 (3) | 0.1724 (3) | 0.2714 (3) | 0.0262 (7) | |
H5 | 0.5976 | 0.2405 | 0.2604 | 0.031* | |
C6 | 0.3735 (3) | 0.4362 (3) | 0.3237 (3) | 0.0270 (7) | |
H6 | 0.4221 | 0.4404 | 0.262 | 0.032* | |
C7 | 0.3625 (3) | 0.3381 (3) | 0.4051 (3) | 0.0225 (7) | |
C8 | 0.2946 (3) | 0.3296 (3) | 0.4961 (3) | 0.0320 (8) | |
H8 | 0.2878 | 0.2625 | 0.5532 | 0.038* | |
C9 | 0.2365 (3) | 0.4220 (3) | 0.5015 (3) | 0.0360 (9) | |
H9 | 0.1882 | 0.4195 | 0.5628 | 0.043* | |
C10 | 0.2492 (3) | 0.5179 (3) | 0.4170 (3) | 0.0278 (8) | |
H10 | 0.208 | 0.5807 | 0.4212 | 0.033* | |
C11 | 0.6645 (3) | 0.1116 (3) | −0.0124 (3) | 0.0321 (8) | |
H11 | 0.7379 | 0.1186 | −0.0472 | 0.039* | |
C12 | 0.6328 (3) | 0.0247 (3) | 0.0782 (3) | 0.0354 (9) | |
H12 | 0.6837 | −0.0278 | 0.1044 | 0.043* | |
C13 | 0.5271 (3) | 0.0141 (3) | 0.1306 (3) | 0.0286 (8) | |
H13 | 0.503 | −0.0457 | 0.1928 | 0.034* | |
C14 | 0.4575 (3) | 0.0939 (3) | 0.0891 (2) | 0.0211 (7) | |
C15 | 0.4929 (3) | 0.1774 (3) | −0.0027 (3) | 0.0256 (7) | |
H15 | 0.4431 | 0.23 | −0.0309 | 0.031* | |
C16 | 0.1428 (3) | 0.5719 (3) | 0.0748 (3) | 0.0300 (8) | |
H16 | 0.1119 | 0.643 | 0.0659 | 0.036* | |
C17 | 0.1601 (3) | 0.5081 (3) | 0.1694 (3) | 0.0299 (8) | |
H17 | 0.1418 | 0.5353 | 0.2242 | 0.036* | |
C18 | 0.2046 (3) | 0.4040 (3) | 0.1833 (3) | 0.0258 (7) | |
H18 | 0.2173 | 0.3582 | 0.2474 | 0.031* | |
C19 | 0.2297 (3) | 0.3695 (3) | 0.1011 (2) | 0.0218 (7) | |
C20 | 0.2105 (3) | 0.4366 (3) | 0.0087 (3) | 0.0266 (7) | |
H20 | 0.228 | 0.4108 | −0.047 | 0.032* | |
C21 | 0.2751 (3) | −0.1529 (3) | 0.3445 (3) | 0.0296 (8) | |
H21 | 0.2423 | −0.1165 | 0.289 | 0.036* | |
C22 | 0.2405 (3) | −0.1309 (3) | 0.4328 (3) | 0.0225 (7) | |
C23 | 0.2852 (3) | −0.1838 (3) | 0.5154 (3) | 0.0312 (8) | |
H23 | 0.2619 | −0.169 | 0.5768 | 0.037* | |
C24 | 0.3644 (3) | −0.2583 (3) | 0.5059 (3) | 0.0339 (8) | |
H24 | 0.396 | −0.2978 | 0.5616 | 0.041* | |
C25 | 0.3974 (3) | −0.2754 (3) | 0.4152 (3) | 0.0342 (9) | |
H25 | 0.4537 | −0.3257 | 0.4089 | 0.041* | |
C26 | −0.0237 (3) | 0.2324 (3) | 0.3228 (3) | 0.0242 (7) | |
H26 | −0.0216 | 0.1782 | 0.2911 | 0.029* | |
C27 | 0.0233 (2) | 0.2094 (3) | 0.4048 (2) | 0.0220 (7) | |
C28 | 0.0217 (3) | 0.2848 (3) | 0.4530 (3) | 0.0300 (8) | |
H28 | 0.0525 | 0.269 | 0.5105 | 0.036* | |
C29 | −0.0270 (3) | 0.3855 (3) | 0.4139 (3) | 0.0332 (8) | |
H29 | −0.0286 | 0.4413 | 0.4436 | 0.04* | |
C30 | −0.0731 (3) | 0.4041 (3) | 0.3320 (3) | 0.0313 (8) | |
H30 | −0.1066 | 0.4731 | 0.3066 | 0.038* | |
C31 | 1.0562 (4) | 0.1827 (6) | 0.0471 (5) | 0.0749 (16) | |
C32 | 1.1295 (5) | 0.1166 (7) | −0.0001 (6) | 0.1019 (19) | |
H32A | 1.1956 | 0.1609 | −0.0394 | 0.153* | |
H32B | 1.0955 | 0.0944 | −0.0453 | 0.153* | |
H32C | 1.1472 | 0.0497 | 0.0525 | 0.153* | |
Cl1 | 0.03078 (8) | 0.76483 (10) | 0.24928 (8) | 0.0452 (3) | |
N1 | 0.1922 (2) | 0.1138 (2) | 0.2715 (2) | 0.0219 (6) | |
N2 | 0.2732 (2) | 0.1052 (2) | 0.4314 (2) | 0.0211 (6) | |
N3 | 0.3880 (2) | 0.2085 (2) | 0.2408 (2) | 0.0206 (6) | |
N4 | 0.7390 (2) | 0.1751 (3) | 0.2267 (2) | 0.0294 (7) | |
N5 | 0.3177 (2) | 0.5259 (2) | 0.3291 (2) | 0.0275 (6) | |
N6 | −0.0724 (2) | 0.3285 (2) | 0.2866 (2) | 0.0267 (6) | |
N7 | 0.3535 (3) | −0.2238 (3) | 0.3342 (3) | 0.0366 (8) | |
N8 | 0.1680 (2) | 0.5370 (2) | −0.0047 (2) | 0.0288 (7) | |
N9 | 0.5952 (2) | 0.1868 (2) | −0.0532 (2) | 0.0287 (7) | |
N10 | 1.0017 (3) | 0.2365 (3) | 0.0801 (3) | 0.0456 (9) | |
O1 | 0.27683 (19) | 0.26849 (19) | 0.10145 (17) | 0.0243 (5) | |
O2 | 0.34907 (18) | 0.08496 (18) | 0.14024 (17) | 0.0229 (5) | |
O4 | 0.15546 (17) | −0.05914 (19) | 0.44101 (17) | 0.0240 (5) | |
O5 | 0.47213 (18) | 0.06661 (19) | 0.38458 (17) | 0.0240 (5) | |
O6 | 0.42629 (18) | 0.24837 (19) | 0.39563 (17) | 0.0230 (5) | |
O8 | −0.0085 (9) | 0.7445 (11) | 0.1786 (8) | 0.274 (7) | |
O9 | 0.1331 (6) | 0.7768 (8) | 0.2082 (8) | 0.201 (4) | |
O10 | 0.0422 (9) | 0.6658 (6) | 0.3299 (5) | 0.196 (4) | |
O11 | −0.0149 (7) | 0.8409 (6) | 0.2876 (4) | 0.167 (4) | |
O12 | 0.06677 (18) | 0.10478 (19) | 0.44301 (17) | 0.0248 (5) | |
P1 | 0.30036 (6) | 0.16942 (7) | 0.19658 (6) | 0.01872 (18) | |
P2 | 0.17895 (6) | 0.07138 (7) | 0.39105 (6) | 0.01925 (18) | |
P3 | 0.38372 (6) | 0.15770 (7) | 0.35924 (6) | 0.01849 (18) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.0476 (2) | 0.02513 (16) | 0.02605 (16) | 0.00634 (13) | 0.00819 (13) | −0.00058 (12) |
Ag2 | 0.03369 (17) | 0.03801 (18) | 0.02685 (16) | 0.01167 (13) | −0.01067 (12) | −0.00034 (12) |
C1 | 0.0218 (18) | 0.045 (2) | 0.0291 (19) | 0.0090 (16) | −0.0008 (15) | −0.0081 (17) |
C2 | 0.029 (2) | 0.039 (2) | 0.040 (2) | 0.0171 (17) | −0.0006 (17) | −0.0010 (18) |
C3 | 0.029 (2) | 0.0283 (19) | 0.0294 (19) | 0.0096 (16) | −0.0019 (15) | 0.0010 (15) |
C4 | 0.0181 (16) | 0.0310 (18) | 0.0196 (16) | 0.0059 (14) | −0.0057 (13) | −0.0073 (14) |
C5 | 0.0214 (17) | 0.0267 (18) | 0.0286 (18) | 0.0052 (14) | −0.0068 (14) | −0.0072 (15) |
C6 | 0.0292 (19) | 0.0242 (17) | 0.0264 (18) | 0.0021 (14) | −0.0008 (14) | −0.0107 (14) |
C7 | 0.0205 (17) | 0.0222 (17) | 0.0265 (17) | −0.0009 (13) | −0.0045 (14) | −0.0105 (14) |
C8 | 0.036 (2) | 0.0261 (19) | 0.0259 (18) | 0.0010 (16) | 0.0000 (16) | −0.0031 (15) |
C9 | 0.038 (2) | 0.033 (2) | 0.0287 (19) | 0.0044 (17) | 0.0072 (16) | −0.0109 (16) |
C10 | 0.0271 (18) | 0.0229 (17) | 0.0327 (19) | 0.0017 (14) | −0.0020 (15) | −0.0116 (15) |
C11 | 0.0225 (18) | 0.044 (2) | 0.0285 (19) | 0.0067 (16) | −0.0018 (15) | −0.0137 (17) |
C12 | 0.033 (2) | 0.041 (2) | 0.0293 (19) | 0.0185 (17) | −0.0097 (16) | −0.0093 (17) |
C13 | 0.0322 (19) | 0.0280 (18) | 0.0204 (17) | 0.0098 (15) | −0.0032 (14) | −0.0048 (14) |
C14 | 0.0200 (16) | 0.0234 (17) | 0.0203 (16) | 0.0035 (13) | −0.0026 (13) | −0.0095 (13) |
C15 | 0.0260 (18) | 0.0273 (18) | 0.0217 (17) | 0.0083 (14) | −0.0043 (14) | −0.0077 (14) |
C16 | 0.032 (2) | 0.0244 (18) | 0.0318 (19) | 0.0094 (15) | −0.0089 (16) | −0.0078 (15) |
C17 | 0.031 (2) | 0.0308 (19) | 0.0288 (19) | 0.0070 (16) | −0.0060 (15) | −0.0122 (16) |
C18 | 0.0248 (18) | 0.0266 (18) | 0.0223 (17) | 0.0040 (14) | −0.0062 (14) | −0.0038 (14) |
C19 | 0.0171 (16) | 0.0193 (16) | 0.0243 (17) | 0.0049 (13) | −0.0026 (13) | −0.0037 (13) |
C20 | 0.0268 (18) | 0.0263 (18) | 0.0235 (17) | 0.0038 (14) | −0.0055 (14) | −0.0051 (14) |
C21 | 0.038 (2) | 0.0183 (17) | 0.0281 (18) | 0.0021 (15) | −0.0064 (16) | −0.0034 (14) |
C22 | 0.0198 (16) | 0.0182 (16) | 0.0268 (17) | −0.0025 (13) | −0.0031 (13) | −0.0053 (14) |
C23 | 0.0254 (19) | 0.037 (2) | 0.0310 (19) | 0.0022 (16) | −0.0084 (15) | −0.0101 (16) |
C24 | 0.029 (2) | 0.035 (2) | 0.039 (2) | 0.0029 (16) | −0.0155 (17) | −0.0102 (17) |
C25 | 0.029 (2) | 0.0258 (19) | 0.049 (2) | 0.0049 (15) | −0.0095 (17) | −0.0139 (17) |
C26 | 0.0186 (16) | 0.0252 (17) | 0.0265 (17) | 0.0033 (13) | −0.0037 (14) | −0.0074 (14) |
C27 | 0.0133 (15) | 0.0249 (17) | 0.0220 (16) | 0.0024 (13) | 0.0012 (13) | −0.0046 (14) |
C28 | 0.0209 (17) | 0.043 (2) | 0.0266 (18) | 0.0065 (15) | −0.0038 (14) | −0.0147 (16) |
C29 | 0.031 (2) | 0.033 (2) | 0.040 (2) | 0.0086 (16) | −0.0060 (17) | −0.0201 (17) |
C30 | 0.0259 (19) | 0.0264 (19) | 0.038 (2) | 0.0088 (15) | −0.0026 (16) | −0.0100 (16) |
C31 | 0.041 (2) | 0.117 (4) | 0.113 (4) | 0.043 (3) | −0.037 (3) | −0.091 (4) |
C32 | 0.066 (3) | 0.142 (5) | 0.141 (5) | 0.048 (3) | −0.038 (3) | −0.099 (4) |
Cl1 | 0.0334 (5) | 0.0687 (7) | 0.0384 (5) | 0.0136 (5) | −0.0093 (4) | −0.0255 (5) |
N1 | 0.0180 (14) | 0.0259 (15) | 0.0187 (14) | 0.0009 (11) | −0.0037 (11) | −0.0043 (11) |
N2 | 0.0189 (14) | 0.0227 (14) | 0.0183 (13) | 0.0039 (11) | −0.0027 (11) | −0.0042 (11) |
N3 | 0.0153 (13) | 0.0194 (13) | 0.0217 (14) | −0.0005 (11) | −0.0001 (11) | −0.0026 (11) |
N4 | 0.0215 (15) | 0.0365 (17) | 0.0285 (16) | 0.0039 (13) | −0.0065 (12) | −0.0091 (13) |
N5 | 0.0317 (16) | 0.0207 (14) | 0.0266 (15) | 0.0023 (12) | −0.0025 (13) | −0.0065 (12) |
N6 | 0.0216 (15) | 0.0279 (15) | 0.0291 (16) | 0.0050 (12) | −0.0072 (12) | −0.0074 (13) |
N7 | 0.048 (2) | 0.0224 (16) | 0.0385 (18) | 0.0076 (14) | −0.0066 (16) | −0.0125 (14) |
N8 | 0.0334 (17) | 0.0250 (15) | 0.0245 (15) | 0.0072 (13) | −0.0104 (13) | −0.0027 (12) |
N9 | 0.0290 (16) | 0.0298 (16) | 0.0215 (15) | 0.0044 (13) | 0.0015 (12) | −0.0066 (12) |
N10 | 0.0357 (19) | 0.050 (2) | 0.043 (2) | 0.0098 (17) | −0.0028 (16) | −0.0114 (18) |
O1 | 0.0291 (13) | 0.0214 (12) | 0.0181 (11) | 0.0075 (10) | −0.0038 (10) | −0.0032 (9) |
O2 | 0.0202 (12) | 0.0224 (12) | 0.0226 (12) | 0.0010 (9) | 0.0005 (9) | −0.0066 (10) |
O4 | 0.0164 (11) | 0.0206 (12) | 0.0272 (12) | −0.0007 (9) | 0.0008 (9) | −0.0022 (10) |
O5 | 0.0173 (11) | 0.0229 (12) | 0.0277 (12) | 0.0062 (9) | −0.0054 (10) | −0.0043 (10) |
O6 | 0.0195 (11) | 0.0220 (12) | 0.0285 (12) | 0.0046 (9) | −0.0072 (10) | −0.0094 (10) |
O8 | 0.304 (12) | 0.442 (16) | 0.266 (10) | 0.250 (12) | −0.233 (10) | −0.283 (12) |
O9 | 0.101 (5) | 0.226 (9) | 0.292 (11) | −0.062 (5) | 0.074 (6) | −0.174 (9) |
O10 | 0.373 (13) | 0.128 (5) | 0.104 (5) | 0.138 (7) | −0.080 (7) | −0.060 (4) |
O11 | 0.259 (8) | 0.165 (6) | 0.094 (4) | 0.163 (6) | −0.061 (5) | −0.072 (4) |
O12 | 0.0173 (11) | 0.0270 (12) | 0.0209 (12) | 0.0041 (9) | −0.0003 (9) | −0.0001 (10) |
P1 | 0.0169 (4) | 0.0188 (4) | 0.0166 (4) | 0.0034 (3) | −0.0020 (3) | −0.0030 (3) |
P2 | 0.0147 (4) | 0.0202 (4) | 0.0180 (4) | 0.0025 (3) | −0.0013 (3) | −0.0024 (3) |
P3 | 0.0155 (4) | 0.0177 (4) | 0.0198 (4) | 0.0029 (3) | −0.0034 (3) | −0.0041 (3) |
Ag1—N9i | 2.191 (3) | C20—N8 | 1.335 (5) |
Ag1—N5 | 2.223 (3) | C20—H20 | 0.95 |
Ag1—N7ii | 2.410 (3) | C21—N7 | 1.334 (5) |
Ag2—N8i | 2.221 (3) | C21—C22 | 1.371 (5) |
Ag2—N6iii | 2.258 (3) | C21—H21 | 0.95 |
Ag2—N4 | 2.436 (3) | C22—C23 | 1.379 (5) |
Ag2—N10 | 2.610 (4) | C22—O4 | 1.397 (4) |
C1—N4 | 1.333 (5) | C23—C24 | 1.372 (5) |
C1—C2 | 1.378 (6) | C23—H23 | 0.95 |
C1—H1 | 0.95 | C24—C25 | 1.372 (6) |
C2—C3 | 1.387 (5) | C24—H24 | 0.95 |
C2—H2 | 0.95 | C25—N7 | 1.352 (5) |
C3—C4 | 1.371 (5) | C25—H25 | 0.95 |
C3—H3 | 0.95 | C26—N6 | 1.337 (4) |
C4—C5 | 1.388 (5) | C26—C27 | 1.378 (5) |
C4—O5 | 1.391 (4) | C26—H26 | 0.95 |
C5—N4 | 1.339 (4) | C27—C28 | 1.368 (5) |
C5—H5 | 0.95 | C27—O12 | 1.395 (4) |
C6—N5 | 1.336 (4) | C28—C29 | 1.389 (5) |
C6—C7 | 1.372 (5) | C28—H28 | 0.95 |
C6—H6 | 0.95 | C29—C30 | 1.376 (6) |
C7—C8 | 1.375 (5) | C29—H29 | 0.95 |
C7—O6 | 1.401 (4) | C30—N6 | 1.341 (5) |
C8—C9 | 1.378 (5) | C30—H30 | 0.95 |
C8—H8 | 0.95 | C31—N10 | 1.103 (6) |
C9—C10 | 1.378 (5) | C31—C32 | 1.446 (7) |
C9—H9 | 0.95 | C32—H32A | 0.98 |
C10—N5 | 1.344 (5) | C32—H32B | 0.98 |
C10—H10 | 0.95 | C32—H32C | 0.98 |
C11—N9 | 1.342 (5) | Cl1—O9 | 1.299 (6) |
C11—C12 | 1.378 (5) | Cl1—O11 | 1.330 (5) |
C11—H11 | 0.95 | Cl1—O8 | 1.334 (7) |
C12—C13 | 1.379 (5) | Cl1—O10 | 1.415 (6) |
C12—H12 | 0.95 | N1—P1 | 1.572 (3) |
C13—C14 | 1.380 (5) | N1—P2 | 1.587 (3) |
C13—H13 | 0.95 | N2—P3 | 1.571 (3) |
C14—C15 | 1.374 (5) | N2—P2 | 1.584 (3) |
C14—O2 | 1.404 (4) | N3—P1 | 1.581 (3) |
C15—N9 | 1.333 (4) | N3—P3 | 1.590 (3) |
C15—H15 | 0.95 | N6—Ag2iv | 2.258 (3) |
C16—N8 | 1.340 (5) | N7—Ag1v | 2.410 (3) |
C16—C17 | 1.382 (5) | N8—Ag2i | 2.221 (3) |
C16—H16 | 0.95 | N9—Ag1i | 2.191 (3) |
C17—C18 | 1.386 (5) | O1—P1 | 1.583 (2) |
C17—H17 | 0.95 | O2—P1 | 1.592 (2) |
C18—C19 | 1.373 (5) | O4—P2 | 1.583 (2) |
C18—H18 | 0.95 | O5—P3 | 1.586 (2) |
C19—C20 | 1.377 (5) | O6—P3 | 1.590 (2) |
C19—O1 | 1.396 (4) | O12—P2 | 1.573 (2) |
N9i—Ag1—N5 | 157.77 (11) | C25—C24—H24 | 120.3 |
N9i—Ag1—N7ii | 112.04 (11) | C23—C24—H24 | 120.3 |
N5—Ag1—N7ii | 90.15 (11) | N7—C25—C24 | 122.9 (3) |
N8i—Ag2—N6iii | 143.27 (11) | N7—C25—H25 | 118.5 |
N8i—Ag2—N4 | 116.52 (11) | C24—C25—H25 | 118.5 |
N6iii—Ag2—N4 | 100.00 (10) | N6—C26—C27 | 122.0 (3) |
N8i—Ag2—N10 | 93.57 (11) | N6—C26—H26 | 119.0 |
N6iii—Ag2—N10 | 91.53 (11) | C27—C26—H26 | 119.0 |
N4—Ag2—N10 | 87.71 (11) | C28—C27—C26 | 120.9 (3) |
N4—C1—C2 | 123.5 (3) | C28—C27—O12 | 119.8 (3) |
N4—C1—H1 | 118.3 | C26—C27—O12 | 119.2 (3) |
C2—C1—H1 | 118.3 | C27—C28—C29 | 117.0 (3) |
C1—C2—C3 | 118.7 (4) | C27—C28—H28 | 121.5 |
C1—C2—H2 | 120.6 | C29—C28—H28 | 121.5 |
C3—C2—H2 | 120.6 | C30—C29—C28 | 119.7 (3) |
C4—C3—C2 | 118.0 (4) | C30—C29—H29 | 120.1 |
C4—C3—H3 | 121.0 | C28—C29—H29 | 120.1 |
C2—C3—H3 | 121.0 | N6—C30—C29 | 122.6 (3) |
C3—C4—C5 | 120.1 (3) | N6—C30—H30 | 118.7 |
C3—C4—O5 | 116.0 (3) | C29—C30—H30 | 118.7 |
C5—C4—O5 | 123.9 (3) | N10—C31—C32 | 177.4 (9) |
N4—C5—C4 | 121.9 (3) | C31—C32—H32A | 109.5 |
N4—C5—H5 | 119.0 | C31—C32—H32B | 109.5 |
C4—C5—H5 | 119.0 | H32A—C32—H32B | 109.5 |
N5—C6—C7 | 121.7 (3) | C31—C32—H32C | 109.5 |
N5—C6—H6 | 119.1 | H32A—C32—H32C | 109.5 |
C7—C6—H6 | 119.1 | H32B—C32—H32C | 109.5 |
C6—C7—C8 | 120.8 (3) | O9—Cl1—O11 | 118.2 (5) |
C6—C7—O6 | 118.9 (3) | O9—Cl1—O8 | 101.3 (7) |
C8—C7—O6 | 120.3 (3) | O11—Cl1—O8 | 119.2 (5) |
C7—C8—C9 | 117.5 (3) | O9—Cl1—O10 | 94.1 (6) |
C7—C8—H8 | 121.2 | O11—Cl1—O10 | 109.0 (4) |
C9—C8—H8 | 121.2 | O8—Cl1—O10 | 112.3 (7) |
C10—C9—C8 | 119.4 (3) | P1—N1—P2 | 121.97 (18) |
C10—C9—H9 | 120.3 | P3—N2—P2 | 122.34 (17) |
C8—C9—H9 | 120.3 | P1—N3—P3 | 119.45 (17) |
N5—C10—C9 | 122.5 (3) | C1—N4—C5 | 117.8 (3) |
N5—C10—H10 | 118.8 | C1—N4—Ag2 | 118.2 (2) |
C9—C10—H10 | 118.8 | C5—N4—Ag2 | 122.2 (2) |
N9—C11—C12 | 122.3 (3) | C6—N5—C10 | 118.1 (3) |
N9—C11—H11 | 118.9 | C6—N5—Ag1 | 120.5 (2) |
C12—C11—H11 | 118.9 | C10—N5—Ag1 | 120.3 (2) |
C11—C12—C13 | 119.8 (3) | C26—N6—C30 | 117.8 (3) |
C11—C12—H12 | 120.1 | C26—N6—Ag2iv | 116.4 (2) |
C13—C12—H12 | 120.1 | C30—N6—Ag2iv | 125.8 (2) |
C12—C13—C14 | 117.3 (3) | C21—N7—C25 | 117.4 (3) |
C12—C13—H13 | 121.4 | C21—N7—Ag1v | 117.9 (3) |
C14—C13—H13 | 121.4 | C25—N7—Ag1v | 120.0 (2) |
C15—C14—C13 | 120.5 (3) | C20—N8—C16 | 118.5 (3) |
C15—C14—O2 | 120.8 (3) | C20—N8—Ag2i | 122.4 (2) |
C13—C14—O2 | 118.6 (3) | C16—N8—Ag2i | 118.9 (2) |
N9—C15—C14 | 121.9 (3) | C15—N9—C11 | 118.3 (3) |
N9—C15—H15 | 119.0 | C15—N9—Ag1i | 119.3 (2) |
C14—C15—H15 | 119.0 | C11—N9—Ag1i | 121.9 (2) |
N8—C16—C17 | 122.3 (3) | C31—N10—Ag2 | 171.4 (4) |
N8—C16—H16 | 118.9 | C19—O1—P1 | 126.9 (2) |
C17—C16—H16 | 118.9 | C14—O2—P1 | 121.2 (2) |
C16—C17—C18 | 119.3 (3) | C22—O4—P2 | 118.8 (2) |
C16—C17—H17 | 120.4 | C4—O5—P3 | 127.3 (2) |
C18—C17—H17 | 120.4 | C7—O6—P3 | 120.5 (2) |
C19—C18—C17 | 117.7 (3) | C27—O12—P2 | 123.0 (2) |
C19—C18—H18 | 121.2 | N1—P1—N3 | 118.28 (15) |
C17—C18—H18 | 121.2 | N1—P1—O1 | 110.62 (14) |
C18—C19—C20 | 120.5 (3) | N3—P1—O1 | 109.98 (14) |
C18—C19—O1 | 125.0 (3) | N1—P1—O2 | 106.77 (14) |
C20—C19—O1 | 114.5 (3) | N3—P1—O2 | 111.05 (13) |
N8—C20—C19 | 121.8 (3) | O1—P1—O2 | 98.26 (12) |
N8—C20—H20 | 119.1 | O12—P2—O4 | 95.58 (12) |
C19—C20—H20 | 119.1 | O12—P2—N2 | 110.86 (14) |
N7—C21—C22 | 122.1 (3) | O4—P2—N2 | 109.71 (14) |
N7—C21—H21 | 119.0 | O12—P2—N1 | 110.51 (13) |
C22—C21—H21 | 119.0 | O4—P2—N1 | 111.84 (14) |
C21—C22—C23 | 120.5 (3) | N2—P2—N1 | 116.41 (15) |
C21—C22—O4 | 119.9 (3) | N2—P3—O5 | 107.41 (13) |
C23—C22—O4 | 119.6 (3) | N2—P3—N3 | 117.46 (15) |
C24—C23—C22 | 117.7 (4) | O5—P3—N3 | 111.64 (14) |
C24—C23—H23 | 121.1 | N2—P3—O6 | 109.51 (14) |
C22—C23—H23 | 121.1 | O5—P3—O6 | 99.20 (12) |
C25—C24—C23 | 119.3 (4) | N3—P3—O6 | 110.04 (14) |
N4—C1—C2—C3 | 0.8 (7) | C17—C16—N8—C20 | 0.6 (6) |
C1—C2—C3—C4 | −0.2 (6) | C17—C16—N8—Ag2i | −174.3 (3) |
C2—C3—C4—C5 | 0.2 (6) | C14—C15—N9—C11 | 0.2 (5) |
C2—C3—C4—O5 | −178.1 (3) | C14—C15—N9—Ag1i | 172.0 (3) |
C3—C4—C5—N4 | −0.7 (5) | C12—C11—N9—C15 | 1.4 (6) |
O5—C4—C5—N4 | 177.3 (3) | C12—C11—N9—Ag1i | −170.2 (3) |
N5—C6—C7—C8 | −1.2 (6) | C18—C19—O1—P1 | 6.4 (5) |
N5—C6—C7—O6 | −177.7 (3) | C20—C19—O1—P1 | −174.7 (2) |
C6—C7—C8—C9 | 1.5 (6) | C15—C14—O2—P1 | −74.2 (4) |
O6—C7—C8—C9 | 178.0 (3) | C13—C14—O2—P1 | 108.6 (3) |
C7—C8—C9—C10 | −0.5 (6) | C21—C22—O4—P2 | −79.4 (4) |
C8—C9—C10—N5 | −1.0 (6) | C23—C22—O4—P2 | 104.1 (3) |
N9—C11—C12—C13 | −1.0 (6) | C3—C4—O5—P3 | −161.5 (3) |
C11—C12—C13—C14 | −0.8 (6) | C5—C4—O5—P3 | 20.4 (5) |
C12—C13—C14—C15 | 2.3 (5) | C6—C7—O6—P3 | −91.7 (3) |
C12—C13—C14—O2 | 179.5 (3) | C8—C7—O6—P3 | 91.7 (4) |
C13—C14—C15—N9 | −2.1 (5) | C28—C27—O12—P2 | −106.4 (3) |
O2—C14—C15—N9 | −179.2 (3) | C26—C27—O12—P2 | 77.8 (4) |
N8—C16—C17—C18 | −0.4 (6) | P2—N1—P1—N3 | −14.0 (3) |
C16—C17—C18—C19 | 0.2 (5) | P2—N1—P1—O1 | −142.11 (18) |
C17—C18—C19—C20 | −0.2 (5) | P2—N1—P1—O2 | 112.0 (2) |
C17—C18—C19—O1 | 178.6 (3) | P3—N3—P1—N1 | 19.7 (3) |
C18—C19—C20—N8 | 0.5 (5) | P3—N3—P1—O1 | 148.10 (17) |
O1—C19—C20—N8 | −178.5 (3) | P3—N3—P1—O2 | −104.22 (19) |
N7—C21—C22—C23 | −1.1 (6) | C19—O1—P1—N1 | 66.7 (3) |
N7—C21—C22—O4 | −177.6 (3) | C19—O1—P1—N3 | −65.8 (3) |
C21—C22—C23—C24 | −0.1 (5) | C19—O1—P1—O2 | 178.2 (3) |
O4—C22—C23—C24 | 176.4 (3) | C14—O2—P1—N1 | −162.7 (2) |
C22—C23—C24—C25 | 1.5 (6) | C14—O2—P1—N3 | −32.5 (3) |
C23—C24—C25—N7 | −1.7 (6) | C14—O2—P1—O1 | 82.7 (2) |
N6—C26—C27—C28 | 0.2 (5) | C27—O12—P2—O4 | −158.4 (3) |
N6—C26—C27—O12 | 176.0 (3) | C27—O12—P2—N2 | 88.0 (3) |
C26—C27—C28—C29 | −1.4 (5) | C27—O12—P2—N1 | −42.6 (3) |
O12—C27—C28—C29 | −177.2 (3) | C22—O4—P2—O12 | −168.7 (2) |
C27—C28—C29—C30 | 1.6 (5) | C22—O4—P2—N2 | −54.2 (3) |
C28—C29—C30—N6 | −0.6 (6) | C22—O4—P2—N1 | 76.5 (3) |
C2—C1—N4—C5 | −1.4 (6) | P3—N2—P2—O12 | −138.77 (18) |
C2—C1—N4—Ag2 | 163.9 (3) | P3—N2—P2—O4 | 116.93 (19) |
C4—C5—N4—C1 | 1.3 (5) | P3—N2—P2—N1 | −11.3 (3) |
C4—C5—N4—Ag2 | −163.4 (3) | P1—N1—P2—O12 | 137.19 (19) |
C7—C6—N5—C10 | −0.2 (5) | P1—N1—P2—O4 | −117.6 (2) |
C7—C6—N5—Ag1 | 168.0 (3) | P1—N1—P2—N2 | 9.6 (3) |
C9—C10—N5—C6 | 1.3 (6) | P2—N2—P3—O5 | −109.5 (2) |
C9—C10—N5—Ag1 | −166.9 (3) | P2—N2—P3—N3 | 17.2 (3) |
C27—C26—N6—C30 | 0.8 (5) | P2—N2—P3—O6 | 143.66 (18) |
C27—C26—N6—Ag2iv | −177.4 (2) | C4—O5—P3—N2 | 173.8 (3) |
C29—C30—N6—C26 | −0.6 (5) | C4—O5—P3—N3 | 43.7 (3) |
C29—C30—N6—Ag2iv | 177.5 (3) | C4—O5—P3—O6 | −72.2 (3) |
C22—C21—N7—C25 | 0.9 (5) | P1—N3—P3—N2 | −21.2 (3) |
C22—C21—N7—Ag1v | 156.8 (3) | P1—N3—P3—O5 | 103.52 (19) |
C24—C25—N7—C21 | 0.5 (6) | P1—N3—P3—O6 | −147.34 (17) |
C24—C25—N7—Ag1v | −154.8 (3) | C7—O6—P3—N2 | −56.3 (3) |
C19—C20—N8—C16 | −0.6 (5) | C7—O6—P3—O5 | −168.5 (2) |
C19—C20—N8—Ag2i | 174.1 (3) | C7—O6—P3—N3 | 74.3 (3) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x, y+1, z; (iii) x+1, y, z; (iv) x−1, y, z; (v) x, y−1, z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C1—H1···N10 | 0.95 | 2.63 | 3.367 (5) | 135 |
C5—H5···O6 | 0.95 | 2.61 | 3.171 (4) | 118 |
C11—H11···O9i | 0.95 | 2.50 | 3.311 (8) | 144 |
C16—H16···O8 | 0.95 | 2.62 | 3.382 (9) | 138 |
C24—H24···O6vi | 0.95 | 2.63 | 3.316 (4) | 129 |
Symmetry codes: (i) −x+1, −y+1, −z; (vi) −x+1, −y, −z+1. |
C51H45Ag3N9O15P3S3 | Z = 2 |
Mr = 1536.66 | F(000) = 1536 |
Triclinic, P1 | Dx = 1.730 Mg m−3 |
a = 13.1577 (10) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 13.7793 (12) Å | Cell parameters from 9901 reflections |
c = 18.4731 (16) Å | θ = 2.3–27.3° |
α = 93.043 (5)° | µ = 1.25 mm−1 |
β = 104.723 (4)° | T = 173 K |
γ = 112.509 (4)° | Block, colourless |
V = 2949.8 (4) Å3 | 0.34 × 0.20 × 0.10 mm |
Bruker APEX II QUAZAR three-circle diffractometer | 12997 independent reflections |
Multilayer QUAZAR mirrors monochromator | 9286 reflections with I > 2σ(I) |
Detector resolution: 8.3333 pixels mm-1 | Rint = 0.047 |
φ and ω scans | θmax = 27.1°, θmin = 1.2° |
Absorption correction: multi-scan SADABS (Bruker AXS) | h = −16→16 |
Tmin = 0.68, Tmax = 0.88 | k = −17→13 |
49496 measured reflections | l = −23→23 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.039 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.083 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.06 | w = 1/[σ2(Fo2) + (0.032P)2 + 0.7896P] where P = (Fo2 + 2Fc2)/3 |
12997 reflections | (Δ/σ)max = 0.001 |
760 parameters | Δρmax = 0.73 e Å−3 |
0 restraints | Δρmin = −0.98 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.86677 (2) | −0.10426 (2) | 0.463092 (16) | 0.03871 (9) | |
Ag2 | 0.58943 (2) | 0.56982 (2) | 0.574709 (16) | 0.03737 (8) | |
Ag3 | 0.34251 (2) | 0.44369 (2) | 0.183739 (18) | 0.04328 (9) | |
C1 | 0.7352 (2) | 0.0810 (2) | 0.63802 (18) | 0.0247 (7) | |
C2 | 0.6525 (2) | 0.1228 (3) | 0.6324 (2) | 0.0283 (8) | |
H2 | 0.6263 | 0.1475 | 0.5873 | 0.034* | |
C3 | 0.6090 (3) | 0.1282 (3) | 0.6922 (2) | 0.0352 (9) | |
H3 | 0.553 | 0.1569 | 0.6878 | 0.042* | |
C4 | 0.6453 (3) | 0.0926 (3) | 0.7584 (2) | 0.0361 (9) | |
C5 | 0.7267 (3) | 0.0497 (3) | 0.7628 (2) | 0.0357 (9) | |
H5 | 0.7522 | 0.0241 | 0.8076 | 0.043* | |
C6 | 0.7710 (3) | 0.0437 (3) | 0.70286 (19) | 0.0300 (8) | |
H6 | 0.826 | 0.0139 | 0.7067 | 0.036* | |
C7 | 0.5987 (3) | 0.1013 (3) | 0.8235 (2) | 0.0538 (11) | |
H7A | 0.6431 | 0.1725 | 0.8543 | 0.081* | |
H7B | 0.6049 | 0.0475 | 0.8549 | 0.081* | |
H7C | 0.5176 | 0.0895 | 0.8038 | 0.081* | |
C8 | 0.6745 (2) | 0.6809 (2) | 0.29135 (17) | 0.0220 (7) | |
C9 | 0.7802 (3) | 0.6772 (3) | 0.32031 (19) | 0.0278 (8) | |
H9 | 0.7966 | 0.6514 | 0.3666 | 0.033* | |
C10 | 0.8624 (3) | 0.7108 (3) | 0.2824 (2) | 0.0317 (8) | |
H10 | 0.9353 | 0.7088 | 0.3033 | 0.038* | |
C11 | 0.8397 (3) | 0.7475 (3) | 0.2141 (2) | 0.0302 (8) | |
C12 | 0.7329 (3) | 0.7503 (3) | 0.18590 (19) | 0.0350 (9) | |
H12 | 0.7156 | 0.7749 | 0.1392 | 0.042* | |
C13 | 0.6509 (3) | 0.7182 (3) | 0.22403 (19) | 0.0316 (8) | |
H13 | 0.5786 | 0.7219 | 0.204 | 0.038* | |
C14 | 0.9284 (3) | 0.7862 (3) | 0.1724 (2) | 0.0475 (10) | |
H14A | 0.9037 | 0.7363 | 0.1251 | 0.071* | |
H14B | 1.0025 | 0.7906 | 0.2043 | 0.071* | |
H14C | 0.9368 | 0.8568 | 0.1605 | 0.071* | |
C15 | 0.2318 (3) | 0.1376 (2) | 0.08317 (17) | 0.0236 (7) | |
C16 | 0.3459 (3) | 0.1548 (3) | 0.11074 (19) | 0.0291 (8) | |
H16 | 0.3874 | 0.1861 | 0.1623 | 0.035* | |
C17 | 0.4005 (3) | 0.1266 (3) | 0.06363 (19) | 0.0316 (8) | |
H17 | 0.4793 | 0.139 | 0.0834 | 0.038* | |
C18 | 0.3428 (3) | 0.0809 (3) | −0.0115 (2) | 0.0397 (9) | |
C19 | 0.2277 (3) | 0.0638 (4) | −0.0376 (2) | 0.0536 (12) | |
H19 | 0.1859 | 0.0323 | −0.0891 | 0.064* | |
C20 | 0.1717 (3) | 0.0910 (3) | 0.00856 (19) | 0.0402 (9) | |
H20 | 0.0926 | 0.0778 | −0.0109 | 0.048* | |
C21 | 0.4036 (4) | 0.0552 (4) | −0.0630 (2) | 0.0718 (15) | |
H21A | 0.4869 | 0.0884 | −0.0381 | 0.108* | |
H21B | 0.3859 | 0.0826 | −0.1104 | 0.108* | |
H21C | 0.3778 | −0.0223 | −0.0743 | 0.108* | |
C22 | 0.6475 (2) | 0.4272 (2) | 0.12852 (17) | 0.0178 (7) | |
C23 | 0.5741 (2) | 0.4424 (2) | 0.16451 (18) | 0.0228 (7) | |
H23 | 0.6009 | 0.4664 | 0.2178 | 0.027* | |
C24 | 0.4308 (3) | 0.3897 (3) | 0.0510 (2) | 0.0339 (9) | |
H24 | 0.354 | 0.3759 | 0.023 | 0.041* | |
C25 | 0.5008 (3) | 0.3734 (3) | 0.01274 (19) | 0.0378 (9) | |
H25 | 0.4727 | 0.3487 | −0.0405 | 0.045* | |
C26 | 0.6131 (3) | 0.3935 (3) | 0.05257 (18) | 0.0290 (8) | |
H26 | 0.6642 | 0.384 | 0.0276 | 0.035* | |
C27 | 1.0095 (2) | 0.4575 (2) | 0.18151 (16) | 0.0184 (7) | |
C28 | 1.0308 (2) | 0.5633 (3) | 0.19394 (18) | 0.0249 (7) | |
H28 | 0.971 | 0.5856 | 0.1942 | 0.03* | |
C29 | 1.1432 (2) | 0.6364 (3) | 0.20614 (18) | 0.0267 (8) | |
H29 | 1.162 | 0.7107 | 0.2153 | 0.032* | |
C30 | 1.0968 (2) | 0.4264 (3) | 0.17936 (17) | 0.0219 (7) | |
H30 | 1.0796 | 0.3525 | 0.1695 | 0.026* | |
C31 | 1.2274 (2) | 0.6013 (3) | 0.20492 (17) | 0.0254 (7) | |
H31 | 1.3043 | 0.6525 | 0.2144 | 0.031* | |
C32 | 1.1424 (2) | 0.2823 (3) | 0.34733 (17) | 0.0237 (7) | |
H32 | 1.1774 | 0.2866 | 0.3078 | 0.028* | |
C33 | 1.1508 (2) | 0.2153 (3) | 0.39806 (18) | 0.0242 (7) | |
H33 | 1.1927 | 0.1738 | 0.3929 | 0.029* | |
C34 | 1.0433 (2) | 0.2637 (2) | 0.46162 (17) | 0.0215 (7) | |
H34 | 1.0073 | 0.2567 | 0.5008 | 0.026* | |
C35 | 1.0335 (2) | 0.3335 (2) | 0.41267 (16) | 0.0165 (6) | |
C36 | 1.0821 (2) | 0.3444 (2) | 0.35400 (17) | 0.0208 (7) | |
H36 | 1.0747 | 0.392 | 0.3197 | 0.025* | |
C37 | 0.7640 (2) | 0.0080 (2) | 0.34312 (17) | 0.0232 (7) | |
H37 | 0.7108 | −0.0018 | 0.3714 | 0.028* | |
C38 | 0.8315 (2) | 0.0761 (2) | 0.23985 (17) | 0.0231 (7) | |
H38 | 0.8266 | 0.1128 | 0.1979 | 0.028* | |
C39 | 0.7555 (2) | 0.0590 (2) | 0.28185 (17) | 0.0180 (7) | |
C40 | 0.9155 (2) | 0.0376 (3) | 0.26145 (18) | 0.0254 (7) | |
H40 | 0.9695 | 0.0466 | 0.2338 | 0.031* | |
C41 | 0.9205 (3) | −0.0139 (3) | 0.32297 (19) | 0.0279 (8) | |
H41 | 0.9787 | −0.04 | 0.3371 | 0.033* | |
C42 | 0.7134 (2) | 0.4840 (2) | 0.48824 (17) | 0.0205 (7) | |
H42 | 0.6933 | 0.5262 | 0.4529 | 0.025* | |
C43 | 0.7861 (2) | 0.4385 (2) | 0.47759 (16) | 0.0179 (7) | |
C44 | 0.8163 (2) | 0.3764 (3) | 0.52711 (17) | 0.0235 (7) | |
H44 | 0.8653 | 0.3434 | 0.5198 | 0.028* | |
C45 | 0.7722 (2) | 0.3638 (3) | 0.58820 (18) | 0.0251 (7) | |
H45 | 0.792 | 0.3225 | 0.6243 | 0.03* | |
C46 | 0.7001 (2) | 0.4106 (3) | 0.59667 (18) | 0.0252 (7) | |
H46 | 0.6703 | 0.4007 | 0.6388 | 0.03* | |
C47 | 0.4868 (2) | 0.2857 (2) | 0.34167 (17) | 0.0217 (7) | |
H47 | 0.4874 | 0.3333 | 0.3062 | 0.026* | |
C48 | 0.5235 (2) | 0.2066 (2) | 0.33056 (16) | 0.0177 (7) | |
C49 | 0.5249 (2) | 0.1375 (2) | 0.38088 (17) | 0.0215 (7) | |
H49 | 0.5528 | 0.0844 | 0.3744 | 0.026* | |
C50 | 0.4842 (2) | 0.1480 (3) | 0.44145 (18) | 0.0271 (8) | |
H50 | 0.481 | 0.1 | 0.4767 | 0.033* | |
C51 | 0.4484 (2) | 0.2280 (3) | 0.45054 (18) | 0.0271 (8) | |
H51 | 0.4215 | 0.2348 | 0.4928 | 0.032* | |
N1 | 0.77060 (18) | 0.26846 (19) | 0.35335 (13) | 0.0168 (5) | |
N2 | 0.71883 (18) | 0.26278 (19) | 0.20177 (13) | 0.0175 (5) | |
N3 | 0.88471 (18) | 0.44020 (19) | 0.29702 (13) | 0.0190 (6) | |
N4 | 0.66990 (19) | 0.4705 (2) | 0.54705 (15) | 0.0244 (6) | |
N5 | 0.4651 (2) | 0.4242 (2) | 0.12602 (16) | 0.0279 (6) | |
N6 | 0.8469 (2) | −0.0287 (2) | 0.36397 (14) | 0.0257 (6) | |
N7 | 0.4501 (2) | 0.2967 (2) | 0.40185 (15) | 0.0255 (6) | |
N8 | 1.20544 (19) | 0.4975 (2) | 0.19085 (14) | 0.0252 (6) | |
N9 | 1.1031 (2) | 0.2049 (2) | 0.45489 (14) | 0.0240 (6) | |
O1 | 0.8309 (2) | −0.0059 (2) | 0.56636 (15) | 0.0502 (7) | |
O2 | 0.6994 (2) | 0.0602 (2) | 0.49362 (14) | 0.0529 (8) | |
O3 | 0.8857 (2) | 0.1825 (2) | 0.57315 (15) | 0.0518 (7) | |
O4 | 0.2494 (2) | 0.2530 (2) | 0.20466 (13) | 0.0428 (6) | |
O5 | 0.0869 (3) | 0.2149 (3) | 0.09551 (17) | 0.0961 (13) | |
O6 | 0.0978 (3) | 0.0774 (2) | 0.16685 (19) | 0.0736 (10) | |
O7 | 0.5104 (2) | 0.51953 (18) | 0.31525 (14) | 0.0382 (6) | |
O8 | 0.49068 (18) | 0.68632 (19) | 0.31286 (14) | 0.0387 (6) | |
O9 | 0.6277 (2) | 0.6634 (2) | 0.41936 (13) | 0.0409 (6) | |
O10 | 0.76150 (15) | 0.45413 (17) | 0.17082 (12) | 0.0261 (5) | |
O11 | 0.90078 (15) | 0.37489 (16) | 0.16955 (11) | 0.0201 (5) | |
O12 | 0.97751 (15) | 0.39769 (15) | 0.42712 (11) | 0.0180 (4) | |
O13 | 0.82933 (15) | 0.46465 (16) | 0.41622 (11) | 0.0189 (4) | |
O14 | 0.55964 (15) | 0.20175 (16) | 0.26559 (10) | 0.0178 (4) | |
O15 | 0.66361 (15) | 0.09075 (15) | 0.26215 (11) | 0.0184 (5) | |
P1 | 0.86125 (6) | 0.38790 (6) | 0.36816 (4) | 0.01610 (17) | |
P2 | 0.68599 (6) | 0.21243 (6) | 0.27196 (4) | 0.01555 (17) | |
P3 | 0.81316 (6) | 0.37967 (6) | 0.21388 (4) | 0.01585 (17) | |
S1 | 0.79247 (7) | 0.07898 (7) | 0.56073 (5) | 0.0282 (2) | |
S2 | 0.16059 (7) | 0.17369 (8) | 0.14203 (5) | 0.0354 (2) | |
S3 | 0.56755 (6) | 0.63516 (7) | 0.33881 (5) | 0.02575 (19) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.04902 (17) | 0.0465 (2) | 0.03586 (17) | 0.03304 (15) | 0.01404 (13) | 0.02035 (14) |
Ag2 | 0.03027 (14) | 0.04377 (19) | 0.04484 (17) | 0.02369 (13) | 0.01167 (12) | −0.00589 (14) |
Ag3 | 0.02330 (13) | 0.0461 (2) | 0.0722 (2) | 0.02035 (13) | 0.02361 (14) | 0.01282 (16) |
C1 | 0.0234 (15) | 0.0190 (19) | 0.0313 (19) | 0.0066 (14) | 0.0106 (14) | 0.0041 (15) |
C2 | 0.0233 (16) | 0.0200 (19) | 0.038 (2) | 0.0070 (14) | 0.0066 (15) | 0.0065 (16) |
C3 | 0.0262 (17) | 0.021 (2) | 0.059 (3) | 0.0059 (15) | 0.0199 (17) | −0.0010 (18) |
C4 | 0.0372 (19) | 0.019 (2) | 0.050 (2) | 0.0034 (16) | 0.0236 (18) | 0.0021 (18) |
C5 | 0.041 (2) | 0.032 (2) | 0.035 (2) | 0.0104 (17) | 0.0169 (17) | 0.0124 (17) |
C6 | 0.0284 (17) | 0.028 (2) | 0.038 (2) | 0.0137 (16) | 0.0127 (15) | 0.0112 (17) |
C7 | 0.054 (2) | 0.042 (3) | 0.063 (3) | 0.007 (2) | 0.037 (2) | 0.002 (2) |
C8 | 0.0200 (15) | 0.0204 (18) | 0.0250 (17) | 0.0083 (14) | 0.0063 (13) | 0.0023 (14) |
C9 | 0.0247 (16) | 0.030 (2) | 0.0300 (19) | 0.0157 (15) | 0.0036 (14) | 0.0068 (16) |
C10 | 0.0194 (16) | 0.028 (2) | 0.045 (2) | 0.0101 (15) | 0.0063 (15) | 0.0024 (17) |
C11 | 0.0253 (16) | 0.022 (2) | 0.039 (2) | 0.0050 (15) | 0.0116 (15) | −0.0018 (16) |
C12 | 0.0288 (18) | 0.043 (2) | 0.0278 (19) | 0.0083 (17) | 0.0080 (15) | 0.0116 (17) |
C13 | 0.0222 (16) | 0.040 (2) | 0.032 (2) | 0.0129 (16) | 0.0065 (15) | 0.0083 (17) |
C14 | 0.039 (2) | 0.040 (2) | 0.069 (3) | 0.0129 (19) | 0.030 (2) | 0.006 (2) |
C15 | 0.0280 (16) | 0.0216 (19) | 0.0238 (17) | 0.0103 (14) | 0.0107 (14) | 0.0081 (15) |
C16 | 0.0304 (17) | 0.030 (2) | 0.0250 (18) | 0.0140 (16) | 0.0021 (14) | 0.0045 (16) |
C17 | 0.0260 (17) | 0.039 (2) | 0.035 (2) | 0.0174 (16) | 0.0102 (15) | 0.0153 (18) |
C18 | 0.040 (2) | 0.060 (3) | 0.030 (2) | 0.028 (2) | 0.0158 (17) | 0.0117 (19) |
C19 | 0.045 (2) | 0.094 (4) | 0.0186 (19) | 0.031 (2) | 0.0036 (17) | −0.009 (2) |
C20 | 0.0260 (18) | 0.064 (3) | 0.028 (2) | 0.0189 (18) | 0.0053 (15) | 0.0009 (19) |
C21 | 0.059 (3) | 0.137 (5) | 0.042 (3) | 0.059 (3) | 0.025 (2) | 0.010 (3) |
C22 | 0.0117 (13) | 0.0161 (17) | 0.0265 (17) | 0.0075 (12) | 0.0039 (12) | 0.0070 (14) |
C23 | 0.0216 (15) | 0.0234 (19) | 0.0259 (17) | 0.0114 (14) | 0.0072 (13) | 0.0069 (15) |
C24 | 0.0185 (16) | 0.034 (2) | 0.043 (2) | 0.0088 (15) | −0.0004 (15) | 0.0129 (18) |
C25 | 0.0347 (19) | 0.051 (3) | 0.0219 (18) | 0.0144 (18) | 0.0044 (15) | 0.0049 (17) |
C26 | 0.0324 (18) | 0.036 (2) | 0.0272 (19) | 0.0182 (16) | 0.0160 (15) | 0.0083 (16) |
C27 | 0.0145 (14) | 0.025 (2) | 0.0168 (16) | 0.0066 (13) | 0.0083 (12) | 0.0056 (14) |
C28 | 0.0189 (15) | 0.029 (2) | 0.0343 (19) | 0.0145 (14) | 0.0125 (14) | 0.0107 (16) |
C29 | 0.0221 (16) | 0.023 (2) | 0.037 (2) | 0.0089 (14) | 0.0124 (14) | 0.0100 (16) |
C30 | 0.0182 (14) | 0.0225 (19) | 0.0258 (17) | 0.0070 (13) | 0.0098 (13) | 0.0047 (14) |
C31 | 0.0180 (15) | 0.028 (2) | 0.0275 (18) | 0.0055 (14) | 0.0083 (13) | 0.0067 (16) |
C32 | 0.0177 (15) | 0.027 (2) | 0.0240 (17) | 0.0063 (14) | 0.0079 (13) | 0.0007 (15) |
C33 | 0.0213 (15) | 0.0234 (19) | 0.0293 (18) | 0.0099 (14) | 0.0085 (14) | 0.0042 (16) |
C34 | 0.0176 (14) | 0.0261 (19) | 0.0215 (17) | 0.0091 (14) | 0.0065 (13) | 0.0053 (15) |
C35 | 0.0092 (13) | 0.0166 (17) | 0.0208 (16) | 0.0040 (12) | 0.0026 (11) | −0.0009 (14) |
C36 | 0.0179 (14) | 0.0253 (19) | 0.0204 (16) | 0.0093 (13) | 0.0064 (13) | 0.0076 (14) |
C37 | 0.0229 (15) | 0.0250 (19) | 0.0256 (18) | 0.0118 (14) | 0.0106 (13) | 0.0036 (15) |
C38 | 0.0274 (16) | 0.0207 (19) | 0.0229 (17) | 0.0090 (14) | 0.0113 (14) | 0.0051 (14) |
C39 | 0.0162 (14) | 0.0140 (17) | 0.0217 (16) | 0.0056 (13) | 0.0035 (12) | −0.0006 (14) |
C40 | 0.0239 (16) | 0.0235 (19) | 0.0335 (19) | 0.0107 (14) | 0.0149 (14) | 0.0029 (16) |
C41 | 0.0232 (16) | 0.027 (2) | 0.035 (2) | 0.0143 (15) | 0.0066 (14) | −0.0009 (16) |
C42 | 0.0185 (14) | 0.0220 (19) | 0.0223 (17) | 0.0099 (13) | 0.0057 (13) | 0.0034 (14) |
C43 | 0.0153 (13) | 0.0170 (18) | 0.0185 (16) | 0.0034 (13) | 0.0058 (12) | −0.0002 (14) |
C44 | 0.0229 (15) | 0.0248 (19) | 0.0275 (18) | 0.0119 (14) | 0.0119 (14) | 0.0067 (15) |
C45 | 0.0271 (16) | 0.0232 (19) | 0.0247 (17) | 0.0083 (14) | 0.0098 (14) | 0.0074 (15) |
C46 | 0.0275 (16) | 0.025 (2) | 0.0234 (17) | 0.0084 (15) | 0.0116 (14) | 0.0029 (15) |
C47 | 0.0182 (14) | 0.0209 (19) | 0.0272 (18) | 0.0105 (13) | 0.0045 (13) | 0.0055 (14) |
C48 | 0.0102 (13) | 0.0204 (18) | 0.0192 (16) | 0.0036 (12) | 0.0040 (12) | −0.0002 (14) |
C49 | 0.0190 (15) | 0.0178 (18) | 0.0292 (18) | 0.0080 (13) | 0.0085 (13) | 0.0065 (15) |
C50 | 0.0214 (15) | 0.028 (2) | 0.0300 (19) | 0.0047 (14) | 0.0112 (14) | 0.0122 (16) |
C51 | 0.0197 (15) | 0.034 (2) | 0.0254 (18) | 0.0075 (15) | 0.0097 (13) | 0.0019 (16) |
N1 | 0.0146 (11) | 0.0171 (14) | 0.0187 (13) | 0.0066 (10) | 0.0046 (10) | 0.0061 (11) |
N2 | 0.0155 (11) | 0.0175 (14) | 0.0176 (13) | 0.0057 (11) | 0.0035 (10) | 0.0038 (11) |
N3 | 0.0178 (12) | 0.0151 (14) | 0.0216 (14) | 0.0027 (11) | 0.0080 (11) | 0.0041 (11) |
N4 | 0.0189 (13) | 0.0280 (17) | 0.0276 (15) | 0.0101 (12) | 0.0094 (11) | 0.0008 (13) |
N5 | 0.0163 (13) | 0.0289 (17) | 0.0430 (18) | 0.0115 (12) | 0.0120 (12) | 0.0085 (14) |
N6 | 0.0286 (14) | 0.0292 (17) | 0.0271 (15) | 0.0190 (13) | 0.0095 (12) | 0.0084 (13) |
N7 | 0.0206 (13) | 0.0296 (17) | 0.0310 (16) | 0.0142 (12) | 0.0102 (12) | −0.0002 (14) |
N8 | 0.0173 (12) | 0.0336 (18) | 0.0285 (15) | 0.0123 (12) | 0.0099 (11) | 0.0080 (13) |
N9 | 0.0211 (13) | 0.0253 (16) | 0.0284 (15) | 0.0118 (12) | 0.0078 (11) | 0.0084 (13) |
O1 | 0.0789 (19) | 0.0547 (18) | 0.0541 (17) | 0.0526 (16) | 0.0381 (15) | 0.0256 (15) |
O2 | 0.0459 (15) | 0.095 (2) | 0.0318 (15) | 0.0422 (16) | 0.0123 (12) | 0.0165 (15) |
O3 | 0.0514 (16) | 0.0449 (18) | 0.0592 (18) | 0.0067 (14) | 0.0364 (14) | 0.0119 (14) |
O4 | 0.0478 (15) | 0.0427 (16) | 0.0298 (14) | 0.0090 (13) | 0.0152 (12) | −0.0032 (12) |
O5 | 0.132 (3) | 0.142 (3) | 0.051 (2) | 0.121 (3) | −0.0082 (19) | −0.016 (2) |
O6 | 0.0679 (19) | 0.0500 (19) | 0.105 (3) | −0.0002 (15) | 0.0702 (19) | −0.0038 (18) |
O7 | 0.0465 (14) | 0.0248 (15) | 0.0478 (16) | 0.0102 (12) | 0.0275 (12) | 0.0112 (12) |
O8 | 0.0305 (12) | 0.0485 (16) | 0.0559 (16) | 0.0281 (12) | 0.0217 (12) | 0.0261 (13) |
O9 | 0.0464 (15) | 0.0612 (18) | 0.0244 (13) | 0.0311 (14) | 0.0121 (11) | 0.0036 (12) |
O10 | 0.0130 (10) | 0.0250 (13) | 0.0389 (13) | 0.0087 (9) | 0.0023 (9) | 0.0132 (11) |
O11 | 0.0172 (10) | 0.0206 (12) | 0.0249 (12) | 0.0076 (9) | 0.0108 (9) | 0.0021 (9) |
O12 | 0.0139 (9) | 0.0191 (12) | 0.0196 (11) | 0.0064 (9) | 0.0035 (8) | 0.0015 (9) |
O13 | 0.0227 (10) | 0.0191 (12) | 0.0205 (11) | 0.0116 (9) | 0.0105 (9) | 0.0059 (9) |
O14 | 0.0146 (9) | 0.0254 (12) | 0.0174 (11) | 0.0112 (9) | 0.0066 (8) | 0.0038 (9) |
O15 | 0.0165 (10) | 0.0134 (12) | 0.0248 (12) | 0.0058 (9) | 0.0055 (9) | 0.0039 (9) |
P1 | 0.0132 (3) | 0.0180 (5) | 0.0174 (4) | 0.0066 (3) | 0.0049 (3) | 0.0028 (3) |
P2 | 0.0122 (3) | 0.0164 (5) | 0.0186 (4) | 0.0063 (3) | 0.0047 (3) | 0.0032 (3) |
P3 | 0.0131 (3) | 0.0194 (5) | 0.0178 (4) | 0.0083 (3) | 0.0064 (3) | 0.0047 (3) |
S1 | 0.0269 (4) | 0.0322 (5) | 0.0323 (5) | 0.0164 (4) | 0.0122 (4) | 0.0119 (4) |
S2 | 0.0355 (5) | 0.0427 (6) | 0.0341 (5) | 0.0241 (5) | 0.0093 (4) | −0.0012 (4) |
S3 | 0.0260 (4) | 0.0300 (5) | 0.0290 (5) | 0.0170 (4) | 0.0115 (4) | 0.0090 (4) |
Ag1—N6 | 2.162 (3) | C30—N8 | 1.341 (4) |
Ag1—N9i | 2.171 (2) | C30—H30 | 0.95 |
Ag1—O1 | 2.524 (2) | C31—N8 | 1.342 (4) |
Ag2—N4 | 2.136 (2) | C31—H31 | 0.95 |
Ag2—N7ii | 2.146 (3) | C32—C33 | 1.364 (4) |
Ag2—Ag2ii | 3.0865 (6) | C32—C36 | 1.390 (4) |
Ag3—N8iii | 2.226 (2) | C32—H32 | 0.95 |
Ag3—N5 | 2.233 (2) | C33—N9 | 1.341 (4) |
Ag3—O4 | 2.538 (2) | C33—H33 | 0.95 |
C1—C6 | 1.373 (4) | C34—N9 | 1.349 (4) |
C1—C2 | 1.397 (4) | C34—C35 | 1.374 (4) |
C1—S1 | 1.780 (3) | C34—H34 | 0.95 |
C2—C3 | 1.378 (4) | C35—C36 | 1.380 (4) |
C2—H2 | 0.95 | C35—O12 | 1.403 (3) |
C3—C4 | 1.382 (5) | C36—H36 | 0.95 |
C3—H3 | 0.95 | C37—N6 | 1.351 (4) |
C4—C5 | 1.396 (5) | C37—C39 | 1.367 (4) |
C4—C7 | 1.502 (5) | C37—H37 | 0.95 |
C5—C6 | 1.389 (4) | C38—C39 | 1.376 (4) |
C5—H5 | 0.95 | C38—C40 | 1.382 (4) |
C6—H6 | 0.95 | C38—H38 | 0.95 |
C7—H7A | 0.98 | C39—O15 | 1.408 (3) |
C7—H7B | 0.98 | C40—C41 | 1.372 (4) |
C7—H7C | 0.98 | C40—H40 | 0.95 |
C8—C9 | 1.379 (4) | C41—N6 | 1.339 (4) |
C8—C13 | 1.379 (4) | C41—H41 | 0.95 |
C8—S3 | 1.776 (3) | C42—N4 | 1.341 (4) |
C9—C10 | 1.383 (4) | C42—C43 | 1.375 (4) |
C9—H9 | 0.95 | C42—H42 | 0.95 |
C10—C11 | 1.389 (5) | C43—C44 | 1.374 (4) |
C10—H10 | 0.95 | C43—O13 | 1.397 (3) |
C11—C12 | 1.385 (4) | C44—C45 | 1.384 (4) |
C11—C14 | 1.505 (4) | C44—H44 | 0.95 |
C12—C13 | 1.382 (4) | C45—C46 | 1.369 (4) |
C12—H12 | 0.95 | C45—H45 | 0.95 |
C13—H13 | 0.95 | C46—N4 | 1.351 (4) |
C14—H14A | 0.98 | C46—H46 | 0.95 |
C14—H14B | 0.98 | C47—N7 | 1.343 (4) |
C14—H14C | 0.98 | C47—C48 | 1.377 (4) |
C15—C16 | 1.377 (4) | C47—H47 | 0.95 |
C15—C20 | 1.379 (4) | C48—C49 | 1.367 (4) |
C15—S2 | 1.768 (3) | C48—O14 | 1.406 (3) |
C16—C17 | 1.385 (4) | C49—C50 | 1.381 (4) |
C16—H16 | 0.95 | C49—H49 | 0.95 |
C17—C18 | 1.380 (5) | C50—C51 | 1.371 (4) |
C17—H17 | 0.95 | C50—H50 | 0.95 |
C18—C19 | 1.387 (5) | C51—N7 | 1.338 (4) |
C18—C21 | 1.497 (5) | C51—H51 | 0.95 |
C19—C20 | 1.382 (5) | N1—P2 | 1.570 (2) |
C19—H19 | 0.95 | N1—P1 | 1.578 (2) |
C20—H20 | 0.95 | N2—P3 | 1.573 (2) |
C21—H21A | 0.98 | N2—P2 | 1.581 (2) |
C21—H21B | 0.98 | N3—P3 | 1.571 (2) |
C21—H21C | 0.98 | N3—P1 | 1.574 (2) |
C22—C26 | 1.355 (4) | N7—Ag2ii | 2.146 (3) |
C22—C23 | 1.374 (4) | N8—Ag3iv | 2.226 (2) |
C22—O10 | 1.394 (3) | N9—Ag1i | 2.171 (2) |
C23—N5 | 1.347 (4) | O1—S1 | 1.441 (2) |
C23—H23 | 0.95 | O2—S1 | 1.434 (2) |
C24—N5 | 1.341 (4) | O3—S1 | 1.440 (3) |
C24—C25 | 1.367 (5) | O4—S2 | 1.448 (2) |
C24—H24 | 0.95 | O5—S2 | 1.432 (3) |
C25—C26 | 1.383 (4) | O6—S2 | 1.440 (3) |
C25—H25 | 0.95 | O7—S3 | 1.462 (2) |
C26—H26 | 0.95 | O8—S3 | 1.444 (2) |
C27—C28 | 1.370 (4) | O9—S3 | 1.448 (2) |
C27—C30 | 1.379 (4) | O10—P3 | 1.579 (2) |
C27—O11 | 1.399 (3) | O11—P3 | 1.5926 (18) |
C28—C29 | 1.385 (4) | O12—P1 | 1.5887 (19) |
C28—H28 | 0.95 | O13—P1 | 1.585 (2) |
C29—C31 | 1.373 (4) | O14—P2 | 1.5844 (17) |
C29—H29 | 0.95 | O15—P2 | 1.579 (2) |
N6—Ag1—N9i | 165.88 (9) | N9—C34—H34 | 119.5 |
N6—Ag1—O1 | 108.18 (9) | C35—C34—H34 | 119.5 |
N9i—Ag1—O1 | 85.93 (9) | C34—C35—C36 | 121.4 (3) |
N4—Ag2—N7ii | 164.12 (10) | C34—C35—O12 | 117.4 (2) |
N4—Ag2—Ag2ii | 78.78 (7) | C36—C35—O12 | 121.1 (3) |
N7ii—Ag2—Ag2ii | 107.84 (7) | C35—C36—C32 | 116.9 (3) |
N8iii—Ag3—N5 | 152.04 (10) | C35—C36—H36 | 121.6 |
N8iii—Ag3—O4 | 99.52 (9) | C32—C36—H36 | 121.6 |
N5—Ag3—O4 | 98.31 (9) | N6—C37—C39 | 120.9 (3) |
C6—C1—C2 | 119.6 (3) | N6—C37—H37 | 119.5 |
C6—C1—S1 | 121.7 (2) | C39—C37—H37 | 119.5 |
C2—C1—S1 | 118.8 (3) | C39—C38—C40 | 117.0 (3) |
C3—C2—C1 | 120.1 (3) | C39—C38—H38 | 121.5 |
C3—C2—H2 | 120.0 | C40—C38—H38 | 121.5 |
C1—C2—H2 | 120.0 | C37—C39—C38 | 121.5 (3) |
C2—C3—C4 | 121.2 (3) | C37—C39—O15 | 117.2 (2) |
C2—C3—H3 | 119.4 | C38—C39—O15 | 121.3 (3) |
C4—C3—H3 | 119.4 | C41—C40—C38 | 119.6 (3) |
C3—C4—C5 | 118.1 (3) | C41—C40—H40 | 120.2 |
C3—C4—C7 | 120.4 (3) | C38—C40—H40 | 120.2 |
C5—C4—C7 | 121.5 (4) | N6—C41—C40 | 122.7 (3) |
C6—C5—C4 | 121.2 (3) | N6—C41—H41 | 118.6 |
C6—C5—H5 | 119.4 | C40—C41—H41 | 118.6 |
C4—C5—H5 | 119.4 | N4—C42—C43 | 121.9 (3) |
C1—C6—C5 | 119.9 (3) | N4—C42—H42 | 119.1 |
C1—C6—H6 | 120.1 | C43—C42—H42 | 119.1 |
C5—C6—H6 | 120.1 | C44—C43—C42 | 120.7 (3) |
C4—C7—H7A | 109.5 | C44—C43—O13 | 124.1 (2) |
C4—C7—H7B | 109.5 | C42—C43—O13 | 115.2 (3) |
H7A—C7—H7B | 109.5 | C43—C44—C45 | 117.2 (3) |
C4—C7—H7C | 109.5 | C43—C44—H44 | 121.4 |
H7A—C7—H7C | 109.5 | C45—C44—H44 | 121.4 |
H7B—C7—H7C | 109.5 | C46—C45—C44 | 120.2 (3) |
C9—C8—C13 | 119.6 (3) | C46—C45—H45 | 119.9 |
C9—C8—S3 | 120.6 (2) | C44—C45—H45 | 119.9 |
C13—C8—S3 | 119.8 (2) | N4—C46—C45 | 122.1 (3) |
C8—C9—C10 | 120.4 (3) | N4—C46—H46 | 118.9 |
C8—C9—H9 | 119.8 | C45—C46—H46 | 118.9 |
C10—C9—H9 | 119.8 | N7—C47—C48 | 121.0 (3) |
C9—C10—C11 | 120.7 (3) | N7—C47—H47 | 119.5 |
C9—C10—H10 | 119.6 | C48—C47—H47 | 119.5 |
C11—C10—H10 | 119.6 | C49—C48—C47 | 121.0 (3) |
C12—C11—C10 | 117.9 (3) | C49—C48—O14 | 122.5 (3) |
C12—C11—C14 | 120.4 (3) | C47—C48—O14 | 116.4 (3) |
C10—C11—C14 | 121.7 (3) | C48—C49—C50 | 117.3 (3) |
C13—C12—C11 | 121.7 (3) | C48—C49—H49 | 121.3 |
C13—C12—H12 | 119.1 | C50—C49—H49 | 121.3 |
C11—C12—H12 | 119.1 | C51—C50—C49 | 119.8 (3) |
C8—C13—C12 | 119.6 (3) | C51—C50—H50 | 120.1 |
C8—C13—H13 | 120.2 | C49—C50—H50 | 120.1 |
C12—C13—H13 | 120.2 | N7—C51—C50 | 122.2 (3) |
C11—C14—H14A | 109.5 | N7—C51—H51 | 118.9 |
C11—C14—H14B | 109.5 | C50—C51—H51 | 118.9 |
H14A—C14—H14B | 109.5 | P2—N1—P1 | 121.12 (15) |
C11—C14—H14C | 109.5 | P3—N2—P2 | 120.29 (15) |
H14A—C14—H14C | 109.5 | P3—N3—P1 | 121.48 (15) |
H14B—C14—H14C | 109.5 | C42—N4—C46 | 118.0 (2) |
C16—C15—C20 | 119.6 (3) | C42—N4—Ag2 | 119.8 (2) |
C16—C15—S2 | 121.1 (2) | C46—N4—Ag2 | 120.69 (19) |
C20—C15—S2 | 119.3 (2) | C24—N5—C23 | 117.1 (3) |
C15—C16—C17 | 120.3 (3) | C24—N5—Ag3 | 120.6 (2) |
C15—C16—H16 | 119.9 | C23—N5—Ag3 | 122.2 (2) |
C17—C16—H16 | 119.9 | C41—N6—C37 | 118.2 (3) |
C18—C17—C16 | 121.3 (3) | C41—N6—Ag1 | 119.9 (2) |
C18—C17—H17 | 119.3 | C37—N6—Ag1 | 121.8 (2) |
C16—C17—H17 | 119.3 | C51—N7—C47 | 118.6 (3) |
C17—C18—C19 | 117.2 (3) | C51—N7—Ag2ii | 120.5 (2) |
C17—C18—C21 | 121.1 (3) | C47—N7—Ag2ii | 120.6 (2) |
C19—C18—C21 | 121.7 (3) | C30—N8—C31 | 117.8 (2) |
C20—C19—C18 | 122.3 (3) | C30—N8—Ag3iv | 120.5 (2) |
C20—C19—H19 | 118.8 | C31—N8—Ag3iv | 121.64 (18) |
C18—C19—H19 | 118.8 | C33—N9—C34 | 117.9 (3) |
C15—C20—C19 | 119.3 (3) | C33—N9—Ag1i | 120.0 (2) |
C15—C20—H20 | 120.4 | C34—N9—Ag1i | 122.0 (2) |
C19—C20—H20 | 120.4 | S1—O1—Ag1 | 127.66 (14) |
C18—C21—H21A | 109.5 | S2—O4—Ag3 | 119.01 (14) |
C18—C21—H21B | 109.5 | C22—O10—P3 | 127.51 (19) |
H21A—C21—H21B | 109.5 | C27—O11—P3 | 122.93 (18) |
C18—C21—H21C | 109.5 | C35—O12—P1 | 121.03 (17) |
H21A—C21—H21C | 109.5 | C43—O13—P1 | 124.04 (18) |
H21B—C21—H21C | 109.5 | C48—O14—P2 | 121.30 (16) |
C26—C22—C23 | 121.2 (3) | C39—O15—P2 | 121.13 (17) |
C26—C22—O10 | 120.0 (2) | N3—P1—N1 | 117.65 (13) |
C23—C22—O10 | 118.6 (3) | N3—P1—O13 | 106.62 (12) |
N5—C23—C22 | 121.5 (3) | N1—P1—O13 | 111.85 (11) |
N5—C23—H23 | 119.2 | N3—P1—O12 | 111.26 (11) |
C22—C23—H23 | 119.2 | N1—P1—O12 | 108.26 (11) |
N5—C24—C25 | 123.4 (3) | O13—P1—O12 | 99.76 (10) |
N5—C24—H24 | 118.3 | N1—P2—O15 | 108.54 (12) |
C25—C24—H24 | 118.3 | N1—P2—N2 | 117.78 (12) |
C24—C25—C26 | 119.1 (3) | O15—P2—N2 | 110.78 (12) |
C24—C25—H25 | 120.4 | N1—P2—O14 | 111.26 (11) |
C26—C25—H25 | 120.4 | O15—P2—O14 | 99.74 (10) |
C22—C26—C25 | 117.6 (3) | N2—P2—O14 | 107.25 (11) |
C22—C26—H26 | 121.2 | N3—P3—N2 | 119.04 (13) |
C25—C26—H26 | 121.2 | N3—P3—O10 | 107.63 (13) |
C28—C27—C30 | 120.6 (3) | N2—P3—O10 | 111.44 (11) |
C28—C27—O11 | 123.6 (2) | N3—P3—O11 | 108.26 (11) |
C30—C27—O11 | 115.8 (3) | N2—P3—O11 | 106.84 (11) |
C27—C28—C29 | 117.3 (3) | O10—P3—O11 | 102.31 (11) |
C27—C28—H28 | 121.4 | O2—S1—O3 | 113.12 (17) |
C29—C28—H28 | 121.4 | O2—S1—O1 | 113.63 (17) |
C31—C29—C28 | 119.8 (3) | O3—S1—O1 | 112.88 (16) |
C31—C29—H29 | 120.1 | O2—S1—C1 | 105.63 (14) |
C28—C29—H29 | 120.1 | O3—S1—C1 | 105.12 (15) |
N8—C30—C27 | 121.8 (3) | O1—S1—C1 | 105.47 (15) |
N8—C30—H30 | 119.1 | O5—S2—O6 | 112.9 (2) |
C27—C30—H30 | 119.1 | O5—S2—O4 | 112.70 (19) |
N8—C31—C29 | 122.6 (3) | O6—S2—O4 | 112.09 (18) |
N8—C31—H31 | 118.7 | O5—S2—C15 | 105.99 (17) |
C29—C31—H31 | 118.7 | O6—S2—C15 | 105.86 (15) |
C33—C32—C36 | 119.3 (3) | O4—S2—C15 | 106.68 (14) |
C33—C32—H32 | 120.3 | O8—S3—O9 | 114.56 (15) |
C36—C32—H32 | 120.3 | O8—S3—O7 | 112.14 (15) |
N9—C33—C32 | 123.5 (3) | O9—S3—O7 | 111.11 (15) |
N9—C33—H33 | 118.2 | O8—S3—C8 | 105.85 (14) |
C32—C33—H33 | 118.2 | O9—S3—C8 | 106.56 (14) |
N9—C34—C35 | 121.0 (3) | O7—S3—C8 | 105.93 (14) |
C6—C1—C2—C3 | 1.2 (5) | O1—Ag1—N6—C37 | −38.9 (3) |
S1—C1—C2—C3 | −178.1 (2) | C50—C51—N7—C47 | 0.8 (4) |
C1—C2—C3—C4 | −0.2 (5) | C50—C51—N7—Ag2ii | −173.3 (2) |
C2—C3—C4—C5 | −0.7 (5) | C48—C47—N7—C51 | −0.9 (4) |
C2—C3—C4—C7 | 178.7 (3) | C48—C47—N7—Ag2ii | 173.3 (2) |
C3—C4—C5—C6 | 0.6 (5) | C27—C30—N8—C31 | 0.2 (4) |
C7—C4—C5—C6 | −178.8 (3) | C27—C30—N8—Ag3iv | −178.3 (2) |
C2—C1—C6—C5 | −1.3 (5) | C29—C31—N8—C30 | −1.5 (5) |
S1—C1—C6—C5 | 178.0 (3) | C29—C31—N8—Ag3iv | 177.0 (2) |
C4—C5—C6—C1 | 0.4 (5) | C32—C33—N9—C34 | 0.4 (4) |
C13—C8—C9—C10 | 0.1 (5) | C32—C33—N9—Ag1i | −175.5 (2) |
S3—C8—C9—C10 | 178.7 (3) | C35—C34—N9—C33 | −1.2 (4) |
C8—C9—C10—C11 | −0.9 (5) | C35—C34—N9—Ag1i | 174.5 (2) |
C9—C10—C11—C12 | 0.7 (5) | N6—Ag1—O1—S1 | 5.8 (2) |
C9—C10—C11—C14 | 179.0 (3) | N9i—Ag1—O1—S1 | −174.6 (2) |
C10—C11—C12—C13 | 0.2 (5) | N8iii—Ag3—O4—S2 | 78.74 (16) |
C14—C11—C12—C13 | −178.1 (3) | N5—Ag3—O4—S2 | −79.65 (16) |
C9—C8—C13—C12 | 0.8 (5) | C26—C22—O10—P3 | −93.0 (3) |
S3—C8—C13—C12 | −177.8 (3) | C23—C22—O10—P3 | 91.4 (3) |
C11—C12—C13—C8 | −1.0 (5) | C28—C27—O11—P3 | −38.3 (4) |
C20—C15—C16—C17 | 0.7 (5) | C30—C27—O11—P3 | 142.4 (2) |
S2—C15—C16—C17 | −179.6 (3) | C34—C35—O12—P1 | −117.0 (2) |
C15—C16—C17—C18 | 0.0 (5) | C36—C35—O12—P1 | 66.5 (3) |
C16—C17—C18—C19 | −0.4 (6) | C44—C43—O13—P1 | 33.7 (4) |
C16—C17—C18—C21 | 177.2 (4) | C42—C43—O13—P1 | −149.3 (2) |
C17—C18—C19—C20 | 0.2 (6) | C49—C48—O14—P2 | −58.5 (3) |
C21—C18—C19—C20 | −177.4 (4) | C47—C48—O14—P2 | 121.1 (2) |
C16—C15—C20—C19 | −0.9 (5) | C37—C39—O15—P2 | 111.7 (3) |
S2—C15—C20—C19 | 179.4 (3) | C38—C39—O15—P2 | −70.1 (3) |
C18—C19—C20—C15 | 0.5 (6) | P3—N3—P1—N1 | 5.2 (2) |
C26—C22—C23—N5 | 0.3 (5) | P3—N3—P1—O13 | −121.29 (16) |
O10—C22—C23—N5 | 175.9 (3) | P3—N3—P1—O12 | 130.90 (15) |
N5—C24—C25—C26 | −0.2 (6) | P2—N1—P1—N3 | −14.2 (2) |
C23—C22—C26—C25 | −1.0 (5) | P2—N1—P1—O13 | 109.72 (16) |
O10—C22—C26—C25 | −176.5 (3) | P2—N1—P1—O12 | −141.34 (14) |
C24—C25—C26—C22 | 1.0 (5) | C43—O13—P1—N3 | 170.1 (2) |
C30—C27—C28—C29 | −1.7 (4) | C43—O13—P1—N1 | 40.2 (2) |
O11—C27—C28—C29 | 179.0 (3) | C43—O13—P1—O12 | −74.1 (2) |
C27—C28—C29—C31 | 0.4 (5) | C35—O12—P1—N3 | −74.5 (2) |
C28—C27—C30—N8 | 1.5 (5) | C35—O12—P1—N1 | 56.2 (2) |
O11—C27—C30—N8 | −179.2 (2) | C35—O12—P1—O13 | 173.2 (2) |
C28—C29—C31—N8 | 1.2 (5) | P1—N1—P2—O15 | 146.38 (14) |
C36—C32—C33—N9 | 0.4 (5) | P1—N1—P2—N2 | 19.5 (2) |
N9—C34—C35—C36 | 1.4 (4) | P1—N1—P2—O14 | −104.83 (16) |
N9—C34—C35—O12 | −175.1 (2) | C39—O15—P2—N1 | −47.9 (2) |
C34—C35—C36—C32 | −0.7 (4) | C39—O15—P2—N2 | 82.9 (2) |
O12—C35—C36—C32 | 175.7 (2) | C39—O15—P2—O14 | −164.4 (2) |
C33—C32—C36—C35 | −0.2 (4) | P3—N2—P2—N1 | −16.0 (2) |
N6—C37—C39—C38 | −0.8 (5) | P3—N2—P2—O15 | −141.73 (14) |
N6—C37—C39—O15 | 177.4 (3) | P3—N2—P2—O14 | 110.37 (15) |
C40—C38—C39—C37 | 1.2 (4) | C48—O14—P2—N1 | −20.8 (2) |
C40—C38—C39—O15 | −177.0 (3) | C48—O14—P2—O15 | 93.5 (2) |
C39—C38—C40—C41 | −0.8 (5) | C48—O14—P2—N2 | −151.0 (2) |
C38—C40—C41—N6 | −0.1 (5) | P1—N3—P3—N2 | −2.0 (2) |
N4—C42—C43—C44 | 0.5 (4) | P1—N3—P3—O10 | 125.93 (16) |
N4—C42—C43—O13 | −176.6 (2) | P1—N3—P3—O11 | −124.16 (16) |
C42—C43—C44—C45 | −1.2 (4) | P2—N2—P3—N3 | 7.5 (2) |
O13—C43—C44—C45 | 175.6 (3) | P2—N2—P3—O10 | −118.69 (16) |
C43—C44—C45—C46 | 1.2 (5) | P2—N2—P3—O11 | 130.32 (15) |
C44—C45—C46—N4 | −0.4 (5) | C22—O10—P3—N3 | −130.2 (2) |
N7—C47—C48—C49 | −0.7 (4) | C22—O10—P3—N2 | 2.1 (3) |
N7—C47—C48—O14 | 179.7 (2) | C22—O10—P3—O11 | 115.9 (2) |
C47—C48—C49—C50 | 2.3 (4) | C27—O11—P3—N3 | −35.4 (2) |
O14—C48—C49—C50 | −178.2 (2) | C27—O11—P3—N2 | −164.7 (2) |
C48—C49—C50—C51 | −2.3 (4) | C27—O11—P3—O10 | 78.1 (2) |
C49—C50—C51—N7 | 0.8 (5) | Ag1—O1—S1—O2 | 44.4 (2) |
C43—C42—N4—C46 | 0.3 (4) | Ag1—O1—S1—O3 | −86.1 (2) |
C43—C42—N4—Ag2 | 166.2 (2) | Ag1—O1—S1—C1 | 159.62 (17) |
C45—C46—N4—C42 | −0.4 (4) | C6—C1—S1—O2 | 146.2 (3) |
C45—C46—N4—Ag2 | −166.2 (2) | C2—C1—S1—O2 | −34.4 (3) |
N7ii—Ag2—N4—C42 | −45.5 (5) | C6—C1—S1—O3 | −93.9 (3) |
Ag2ii—Ag2—N4—C42 | 70.9 (2) | C2—C1—S1—O3 | 85.4 (3) |
N7ii—Ag2—N4—C46 | 120.1 (4) | C6—C1—S1—O1 | 25.6 (3) |
Ag2ii—Ag2—N4—C46 | −123.5 (2) | C2—C1—S1—O1 | −155.1 (3) |
C25—C24—N5—C23 | −0.5 (5) | Ag3—O4—S2—O5 | −37.4 (2) |
C25—C24—N5—Ag3 | −178.2 (3) | Ag3—O4—S2—O6 | −166.04 (15) |
C22—C23—N5—C24 | 0.5 (4) | Ag3—O4—S2—C15 | 78.53 (17) |
C22—C23—N5—Ag3 | 178.1 (2) | C16—C15—S2—O5 | 141.3 (3) |
N8iii—Ag3—N5—C24 | −44.5 (4) | C20—C15—S2—O5 | −38.9 (3) |
O4—Ag3—N5—C24 | 84.7 (3) | C16—C15—S2—O6 | −98.5 (3) |
N8iii—Ag3—N5—C23 | 137.9 (2) | C20—C15—S2—O6 | 81.2 (3) |
O4—Ag3—N5—C23 | −92.9 (2) | C16—C15—S2—O4 | 21.0 (3) |
C40—C41—N6—C37 | 0.6 (5) | C20—C15—S2—O4 | −159.2 (3) |
C40—C41—N6—Ag1 | −177.1 (2) | C9—C8—S3—O8 | 158.2 (3) |
C39—C37—N6—C41 | −0.1 (4) | C13—C8—S3—O8 | −23.2 (3) |
C39—C37—N6—Ag1 | 177.6 (2) | C9—C8—S3—O9 | 35.9 (3) |
N9i—Ag1—N6—C41 | −39.6 (5) | C13—C8—S3—O9 | −145.6 (3) |
O1—Ag1—N6—C41 | 138.7 (2) | C9—C8—S3—O7 | −82.5 (3) |
N9i—Ag1—N6—C37 | 142.8 (3) | C13—C8—S3—O7 | 96.0 (3) |
Symmetry codes: (i) −x+2, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x−1, y, z; (iv) x+1, y, z. |
C32H27Ag2N10O6P3·2(BF4) | V = 1025.10 (19) Å3 |
Mr = 1129.90 | Z = 1 |
Triclinic, P1 | F(000) = 558 |
a = 8.1432 (8) Å | Dx = 1.830 Mg m−3 |
b = 9.879 (1) Å | Mo Kα radiation, λ = 0.71073 Å |
c = 13.5670 (15) Å | µ = 1.17 mm−1 |
α = 99.386 (5)° | T = 300 K |
β = 99.515 (5)° | Block, colorless |
γ = 103.137 (5)° | 0.49 × 0.47 × 0.15 mm |
Bruker APEX II QUAZAR three-circle diffractometer | 6792 independent reflections |
Multilayer QUAZAR mirrors monochromator | 6089 reflections with I > 2σ(I) |
Detector resolution: 8.3333 pixels mm-1 | Rint = 0.055 |
φ and ω scans | θmax = 25.3°, θmin = 2.9° |
Absorption correction: multi-scan SADABS (Bruker AXS) | h = −9→9 |
Tmin = 0.60, Tmax = 0.85 | k = −11→11 |
12958 measured reflections | l = −16→16 |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.075 | w = 1/[σ2(Fo2) + (0.1602P)2 + 0.0722P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.217 | (Δ/σ)max = 0.001 |
S = 1.11 | Δρmax = 1.74 e Å−3 |
6792 reflections | Δρmin = −1.13 e Å−3 |
569 parameters | Absolute structure: Flack x determined using 2307 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). |
69 restraints | Absolute structure parameter: 0.12 (2) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refined as a 2-component perfect inversion twin. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.84901 (13) | 1.17851 (9) | 0.91032 (8) | 0.0609 (4) | |
Ag2 | 0.43723 (15) | 0.02437 (13) | 0.39677 (10) | 0.0689 (5) | |
B1 | 0.415 (8) | 0.833 (6) | 0.121 (4) | 0.145 (4) | |
B2 | 0.438 (6) | 0.231 (6) | 0.701 (4) | 0.140 (4) | |
C1 | 0.1463 (16) | 0.1677 (13) | 0.4267 (9) | 0.038 (3) | |
H1 | 0.2156 | 0.1997 | 0.492 | 0.045* | |
C2 | 0.0011 (15) | 0.2145 (10) | 0.4036 (9) | 0.030 (2) | |
C3 | −0.0980 (19) | 0.1763 (14) | 0.3077 (11) | 0.046 (3) | |
H3 | −0.1936 | 0.2113 | 0.2913 | 0.055* | |
C4 | −0.0539 (18) | 0.0847 (15) | 0.2354 (11) | 0.047 (3) | |
H4 | −0.1217 | 0.0546 | 0.1697 | 0.056* | |
C5 | 0.089 (2) | 0.0382 (15) | 0.2603 (11) | 0.047 (3) | |
H5 | 0.1197 | −0.0218 | 0.2104 | 0.056* | |
C6 | −0.0820 (19) | 0.4125 (13) | 0.1175 (10) | 0.041 (3) | |
H6 | −0.0059 | 0.3624 | 0.142 | 0.05* | |
C7 | −0.0714 (17) | 0.5448 (13) | 0.1736 (9) | 0.036 (3) | |
C8 | −0.177 (2) | 0.6212 (17) | 0.1404 (10) | 0.051 (3) | |
H8 | −0.1673 | 0.7129 | 0.1752 | 0.061* | |
C9 | −0.307 (3) | 0.556 (2) | 0.0493 (11) | 0.069 (5) | |
H9 | −0.3864 | 0.6036 | 0.025 | 0.082* | |
C10 | −0.311 (2) | 0.4236 (18) | −0.0014 (11) | 0.055 (4) | |
H10 | −0.3959 | 0.3804 | −0.0598 | 0.066* | |
C11 | −0.2626 (15) | 0.8759 (10) | 0.3971 (9) | 0.031 (2) | |
H11 | −0.3188 | 0.8396 | 0.3292 | 0.038* | |
C12 | −0.1134 (14) | 0.8434 (10) | 0.4318 (8) | 0.026 (2) | |
C13 | −0.0257 (19) | 0.8979 (15) | 0.5312 (10) | 0.045 (3) | |
H13 | 0.079 | 0.8797 | 0.5556 | 0.054* | |
C14 | −0.1001 (19) | 0.9812 (14) | 0.5939 (9) | 0.040 (3) | |
H14 | −0.0506 | 1.0181 | 0.6628 | 0.048* | |
C15 | −0.2520 (19) | 1.0056 (13) | 0.5476 (12) | 0.043 (3) | |
H15 | −0.3001 | 1.0638 | 0.5886 | 0.052* | |
C16 | 0.5385 (16) | 0.3876 (13) | 0.4220 (11) | 0.039 (3) | |
H16 | 0.5766 | 0.3837 | 0.4897 | 0.047* | |
C17 | 0.4947 (14) | 0.5102 (12) | 0.4023 (9) | 0.031 (2) | |
C18 | 0.4464 (19) | 0.5253 (16) | 0.3040 (11) | 0.046 (3) | |
H18 | 0.4192 | 0.6072 | 0.2891 | 0.055* | |
C19 | 0.441 (2) | 0.4115 (18) | 0.2286 (12) | 0.056 (4) | |
H19 | 0.4078 | 0.4152 | 0.1604 | 0.067* | |
C20 | 0.483 (2) | 0.2930 (16) | 0.2533 (12) | 0.053 (3) | |
H20 | 0.4798 | 0.2188 | 0.2006 | 0.064* | |
C21 | 0.6070 (18) | 0.9191 (13) | 0.7552 (10) | 0.042 (3) | |
H21 | 0.5654 | 0.9934 | 0.7364 | 0.051* | |
C22 | 0.5405 (15) | 0.7823 (12) | 0.6951 (9) | 0.034 (2) | |
C23 | 0.597 (2) | 0.6709 (13) | 0.7238 (10) | 0.049 (3) | |
H23 | 0.5517 | 0.5789 | 0.6851 | 0.058* | |
C24 | 0.724 (3) | 0.6989 (17) | 0.8126 (11) | 0.067 (5) | |
H24 | 0.7649 | 0.6262 | 0.8348 | 0.08* | |
C25 | 0.788 (2) | 0.8387 (18) | 0.8669 (10) | 0.058 (4) | |
H25 | 0.8744 | 0.8581 | 0.9251 | 0.07* | |
C26 | −0.0679 (18) | 0.3762 (14) | 0.7330 (10) | 0.043 (3) | |
H26 | −0.1563 | 0.3044 | 0.689 | 0.051* | |
C27 | 0.0011 (16) | 0.4936 (14) | 0.6978 (10) | 0.040 (3) | |
C28 | 0.130 (2) | 0.6009 (16) | 0.7591 (12) | 0.062 (4) | |
H28 | 0.1751 | 0.6834 | 0.7374 | 0.074* | |
C29 | 0.190 (2) | 0.581 (2) | 0.8557 (12) | 0.070 (5) | |
H29 | 0.2811 | 0.6504 | 0.9002 | 0.084* | |
C30 | 0.117 (2) | 0.4616 (19) | 0.8854 (11) | 0.058 (4) | |
H30 | 0.1618 | 0.4494 | 0.9501 | 0.07* | |
C31 | 1.228 (4) | 1.115 (3) | 0.972 (2) | 0.098 (4) | |
C32 | 1.347 (4) | 1.053 (3) | 0.924 (2) | 0.100 (4) | |
H32A | 1.455 | 1.073 | 0.9713 | 0.149* | |
H32B | 1.3651 | 1.0932 | 0.8652 | 0.149* | |
H32C | 1.2999 | 0.9521 | 0.9022 | 0.149* | |
F1 | 0.430 (4) | 0.866 (3) | 0.2156 (16) | 0.149 (4) | |
F2 | 0.375 (3) | 0.676 (3) | 0.1255 (17) | 0.148 (4) | |
F3 | 0.251 (3) | 0.840 (2) | 0.0780 (15) | 0.142 (4) | |
F4 | 0.510 (4) | 0.836 (3) | 0.0528 (17) | 0.145 (4) | |
F5 | 0.330 (3) | 0.309 (3) | 0.7099 (16) | 0.143 (4) | |
F6 | 0.555 (2) | 0.227 (2) | 0.7739 (14) | 0.134 (4) | |
F7 | 0.310 (3) | 0.099 (2) | 0.6773 (15) | 0.142 (4) | |
F8 | 0.486 (3) | 0.236 (3) | 0.6149 (16) | 0.142 (4) | |
N1 | 0.2257 (12) | 0.5139 (10) | 0.5418 (7) | 0.031 (2) | |
N2 | 0.2432 (12) | 0.7223 (9) | 0.4317 (7) | 0.0293 (19) | |
N3 | −0.0585 (13) | 0.5277 (10) | 0.4136 (8) | 0.034 (2) | |
N4 | −0.1942 (18) | 0.3532 (13) | 0.0308 (8) | 0.047 (3) | |
N5 | −0.3319 (13) | 0.9588 (10) | 0.4576 (8) | 0.036 (2) | |
N6 | −0.0154 (19) | 0.3600 (14) | 0.8259 (9) | 0.056 (3) | |
N7 | 0.1907 (13) | 0.0777 (10) | 0.3583 (9) | 0.039 (2) | |
N8 | 0.7310 (16) | 0.9450 (11) | 0.8403 (8) | 0.044 (3) | |
N9 | 0.5295 (15) | 0.2785 (12) | 0.3517 (10) | 0.048 (3) | |
N10 | 1.140 (3) | 1.159 (3) | 1.0065 (18) | 0.098 (4) | |
O1 | −0.0450 (10) | 0.2999 (8) | 0.4833 (7) | 0.0354 (18) | |
O2 | −0.0684 (12) | 0.5048 (9) | 0.5992 (7) | 0.0392 (19) | |
O3 | 0.4154 (12) | 0.7744 (9) | 0.6111 (7) | 0.043 (2) | |
O4 | 0.5083 (10) | 0.6218 (8) | 0.4842 (7) | 0.0342 (17) | |
O5 | 0.0627 (11) | 0.5996 (9) | 0.2582 (6) | 0.0380 (18) | |
O6 | −0.0502 (11) | 0.7663 (8) | 0.3562 (6) | 0.0329 (17) | |
P1 | 0.0212 (3) | 0.4678 (3) | 0.5051 (2) | 0.0278 (6) | |
P2 | 0.0503 (3) | 0.6496 (2) | 0.3728 (2) | 0.0266 (6) | |
P3 | 0.3360 (3) | 0.6502 (3) | 0.5132 (2) | 0.0279 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.0773 (8) | 0.0388 (6) | 0.0478 (6) | 0.0135 (5) | −0.0153 (5) | −0.0125 (4) |
Ag2 | 0.0639 (7) | 0.0738 (8) | 0.0724 (8) | 0.0525 (6) | −0.0033 (6) | −0.0058 (6) |
B1 | 0.187 (9) | 0.165 (9) | 0.105 (6) | 0.096 (8) | 0.021 (6) | 0.023 (6) |
B2 | 0.115 (7) | 0.175 (9) | 0.113 (6) | 0.022 (6) | −0.017 (5) | 0.048 (6) |
C1 | 0.035 (6) | 0.043 (7) | 0.030 (6) | 0.008 (5) | 0.000 (5) | 0.002 (5) |
C2 | 0.039 (6) | 0.010 (4) | 0.035 (6) | 0.005 (4) | 0.004 (5) | −0.002 (4) |
C3 | 0.051 (7) | 0.041 (7) | 0.046 (7) | 0.028 (6) | −0.002 (6) | 0.003 (6) |
C4 | 0.050 (8) | 0.045 (7) | 0.041 (7) | 0.027 (6) | −0.011 (6) | −0.005 (5) |
C5 | 0.056 (8) | 0.038 (7) | 0.043 (7) | 0.011 (6) | 0.013 (6) | −0.003 (5) |
C6 | 0.056 (8) | 0.029 (6) | 0.034 (6) | 0.009 (5) | 0.005 (6) | 0.002 (5) |
C7 | 0.046 (7) | 0.036 (6) | 0.026 (5) | 0.011 (5) | 0.009 (5) | 0.005 (5) |
C8 | 0.076 (10) | 0.054 (8) | 0.031 (6) | 0.037 (7) | 0.004 (6) | 0.007 (6) |
C9 | 0.087 (12) | 0.103 (13) | 0.030 (7) | 0.075 (11) | −0.004 (7) | −0.001 (7) |
C10 | 0.077 (10) | 0.061 (9) | 0.030 (6) | 0.029 (8) | 0.006 (6) | 0.004 (6) |
C11 | 0.034 (6) | 0.017 (5) | 0.037 (6) | 0.006 (4) | −0.004 (4) | −0.001 (4) |
C12 | 0.038 (5) | 0.017 (4) | 0.024 (5) | 0.010 (4) | 0.008 (4) | 0.002 (4) |
C13 | 0.051 (7) | 0.047 (7) | 0.032 (6) | 0.023 (6) | −0.011 (5) | −0.003 (5) |
C14 | 0.055 (7) | 0.038 (6) | 0.025 (5) | 0.021 (5) | 0.000 (5) | −0.007 (4) |
C15 | 0.047 (7) | 0.032 (6) | 0.060 (9) | 0.023 (5) | 0.014 (6) | 0.017 (6) |
C16 | 0.036 (6) | 0.034 (6) | 0.045 (7) | 0.015 (5) | −0.002 (5) | 0.000 (5) |
C17 | 0.025 (5) | 0.032 (5) | 0.032 (6) | 0.008 (4) | 0.005 (4) | −0.001 (4) |
C18 | 0.051 (7) | 0.049 (7) | 0.038 (7) | 0.014 (6) | 0.013 (6) | 0.008 (6) |
C19 | 0.071 (10) | 0.060 (9) | 0.043 (7) | 0.032 (7) | 0.015 (7) | 0.002 (6) |
C20 | 0.057 (8) | 0.051 (8) | 0.043 (8) | 0.016 (6) | 0.003 (6) | −0.010 (6) |
C21 | 0.053 (7) | 0.034 (6) | 0.030 (6) | 0.008 (5) | 0.000 (5) | −0.008 (5) |
C22 | 0.040 (6) | 0.029 (5) | 0.028 (5) | 0.012 (4) | −0.002 (4) | −0.001 (4) |
C23 | 0.076 (9) | 0.025 (6) | 0.040 (7) | 0.019 (6) | −0.001 (6) | −0.003 (5) |
C24 | 0.119 (15) | 0.045 (8) | 0.037 (7) | 0.045 (9) | −0.011 (8) | 0.005 (6) |
C25 | 0.082 (11) | 0.062 (9) | 0.026 (6) | 0.028 (8) | −0.008 (7) | 0.000 (6) |
C26 | 0.048 (7) | 0.037 (6) | 0.034 (6) | −0.002 (5) | 0.015 (5) | −0.006 (5) |
C27 | 0.036 (6) | 0.041 (6) | 0.044 (7) | 0.015 (5) | 0.012 (5) | 0.003 (5) |
C28 | 0.081 (11) | 0.041 (8) | 0.048 (8) | −0.007 (7) | 0.027 (8) | −0.013 (6) |
C29 | 0.058 (9) | 0.081 (12) | 0.042 (8) | −0.014 (9) | 0.003 (7) | −0.013 (8) |
C30 | 0.062 (9) | 0.070 (10) | 0.029 (6) | 0.000 (8) | 0.009 (6) | 0.000 (6) |
C31 | 0.105 (10) | 0.097 (9) | 0.091 (9) | 0.051 (7) | −0.002 (7) | 0.007 (7) |
C32 | 0.108 (10) | 0.098 (9) | 0.092 (9) | 0.049 (7) | 0.000 (8) | 0.007 (8) |
F1 | 0.189 (9) | 0.168 (9) | 0.108 (6) | 0.095 (8) | 0.020 (6) | 0.021 (6) |
F2 | 0.189 (9) | 0.167 (9) | 0.108 (6) | 0.095 (8) | 0.022 (6) | 0.023 (6) |
F3 | 0.185 (10) | 0.163 (9) | 0.100 (7) | 0.097 (8) | 0.020 (7) | 0.026 (6) |
F4 | 0.186 (10) | 0.164 (9) | 0.105 (7) | 0.096 (8) | 0.023 (7) | 0.023 (7) |
F5 | 0.118 (7) | 0.176 (10) | 0.119 (7) | 0.023 (6) | −0.014 (6) | 0.045 (7) |
F6 | 0.111 (7) | 0.170 (10) | 0.108 (7) | 0.022 (6) | −0.019 (5) | 0.051 (7) |
F7 | 0.116 (7) | 0.175 (10) | 0.116 (7) | 0.019 (6) | −0.020 (6) | 0.046 (7) |
F8 | 0.117 (7) | 0.181 (10) | 0.113 (7) | 0.022 (6) | −0.015 (6) | 0.046 (7) |
N1 | 0.035 (5) | 0.027 (4) | 0.029 (5) | 0.009 (4) | −0.003 (4) | 0.004 (4) |
N2 | 0.033 (5) | 0.019 (4) | 0.033 (5) | 0.006 (3) | 0.002 (4) | 0.004 (3) |
N3 | 0.027 (4) | 0.028 (4) | 0.042 (5) | 0.005 (3) | −0.004 (4) | 0.005 (4) |
N4 | 0.067 (8) | 0.041 (6) | 0.029 (5) | 0.013 (5) | 0.004 (5) | 0.002 (4) |
N5 | 0.040 (5) | 0.026 (4) | 0.044 (6) | 0.010 (4) | 0.016 (5) | 0.005 (4) |
N6 | 0.070 (8) | 0.050 (7) | 0.035 (6) | −0.001 (6) | 0.001 (6) | 0.008 (5) |
N7 | 0.037 (5) | 0.024 (5) | 0.050 (6) | 0.014 (4) | −0.003 (4) | −0.003 (4) |
N8 | 0.062 (7) | 0.031 (5) | 0.028 (5) | 0.014 (5) | −0.015 (5) | −0.004 (4) |
N9 | 0.046 (6) | 0.042 (6) | 0.059 (7) | 0.017 (5) | 0.012 (5) | 0.010 (5) |
N10 | 0.105 (10) | 0.097 (9) | 0.091 (9) | 0.051 (7) | −0.002 (7) | 0.006 (7) |
O1 | 0.040 (4) | 0.018 (3) | 0.046 (5) | 0.005 (3) | 0.014 (4) | −0.003 (3) |
O2 | 0.044 (5) | 0.038 (4) | 0.040 (5) | 0.024 (4) | 0.011 (4) | 0.002 (4) |
O3 | 0.049 (5) | 0.031 (4) | 0.038 (5) | 0.015 (3) | −0.016 (4) | −0.009 (3) |
O4 | 0.030 (4) | 0.027 (4) | 0.043 (5) | 0.009 (3) | 0.006 (3) | 0.000 (3) |
O5 | 0.043 (4) | 0.037 (4) | 0.025 (4) | 0.010 (3) | −0.006 (3) | −0.003 (3) |
O6 | 0.047 (4) | 0.022 (3) | 0.029 (4) | 0.016 (3) | −0.001 (3) | 0.002 (3) |
P1 | 0.0300 (13) | 0.0174 (12) | 0.0339 (14) | 0.0061 (9) | 0.0034 (10) | 0.0026 (10) |
P2 | 0.0309 (13) | 0.0172 (11) | 0.0282 (13) | 0.0094 (10) | −0.0024 (10) | −0.0013 (9) |
P3 | 0.0274 (12) | 0.0208 (12) | 0.0287 (13) | 0.0051 (9) | −0.0042 (10) | −0.0015 (10) |
Ag1—N8 | 2.264 (11) | C17—C18 | 1.368 (19) |
Ag1—N4i | 2.307 (13) | C17—O4 | 1.402 (14) |
Ag1—N6ii | 2.436 (12) | C18—C19 | 1.38 (2) |
Ag1—N10 | 2.57 (2) | C18—H18 | 0.93 |
Ag2—N7 | 2.192 (10) | C19—C20 | 1.37 (2) |
Ag2—N5iii | 2.203 (11) | C19—H19 | 0.93 |
B1—F1 | 1.24 (5) | C20—N9 | 1.37 (2) |
B1—F4 | 1.31 (6) | C20—H20 | 0.93 |
B1—F3 | 1.39 (6) | C21—N8 | 1.348 (17) |
B1—F2 | 1.52 (6) | C21—C22 | 1.395 (17) |
B2—F6 | 1.27 (4) | C21—H21 | 0.93 |
B2—F8 | 1.29 (5) | C22—C23 | 1.374 (17) |
B2—F5 | 1.30 (6) | C22—O3 | 1.376 (14) |
B2—F7 | 1.43 (5) | C23—C24 | 1.39 (2) |
C1—N7 | 1.330 (17) | C23—H23 | 0.93 |
C1—C2 | 1.373 (18) | C24—C25 | 1.39 (2) |
C1—H1 | 0.93 | C24—H24 | 0.93 |
C2—C3 | 1.357 (18) | C25—N8 | 1.316 (19) |
C2—O1 | 1.414 (14) | C25—H25 | 0.93 |
C3—C4 | 1.37 (2) | C26—N6 | 1.309 (19) |
C3—H3 | 0.93 | C26—C27 | 1.365 (19) |
C4—C5 | 1.36 (2) | C26—H26 | 0.93 |
C4—H4 | 0.93 | C27—C28 | 1.35 (2) |
C5—N7 | 1.387 (19) | C27—O2 | 1.396 (17) |
C5—H5 | 0.93 | C28—C29 | 1.38 (3) |
C6—N4 | 1.318 (18) | C28—H28 | 0.93 |
C6—C7 | 1.378 (19) | C29—C30 | 1.35 (3) |
C6—H6 | 0.93 | C29—H29 | 0.93 |
C7—C8 | 1.340 (19) | C30—N6 | 1.33 (2) |
C7—O5 | 1.385 (15) | C30—H30 | 0.93 |
C8—C9 | 1.43 (2) | C31—N10 | 1.05 (3) |
C8—H8 | 0.93 | C31—C32 | 1.45 (4) |
C9—C10 | 1.37 (2) | C32—H32A | 0.96 |
C9—H9 | 0.93 | C32—H32B | 0.96 |
C10—N4 | 1.35 (2) | C32—H32C | 0.96 |
C10—H10 | 0.93 | N1—P3 | 1.583 (9) |
C11—N5 | 1.344 (16) | N1—P1 | 1.592 (10) |
C11—C12 | 1.355 (16) | N2—P2 | 1.583 (9) |
C11—H11 | 0.93 | N2—P3 | 1.589 (9) |
C12—C13 | 1.375 (17) | N3—P2 | 1.561 (10) |
C12—O6 | 1.412 (14) | N3—P1 | 1.569 (10) |
C13—C14 | 1.39 (2) | N4—Ag1iv | 2.307 (13) |
C13—H13 | 0.93 | N5—Ag2v | 2.203 (11) |
C14—C15 | 1.38 (2) | N6—Ag1vi | 2.436 (12) |
C14—H14 | 0.93 | O1—P1 | 1.585 (7) |
C15—N5 | 1.243 (19) | O2—P1 | 1.604 (9) |
C15—H15 | 0.93 | O3—P3 | 1.584 (8) |
C16—N9 | 1.297 (19) | O4—P3 | 1.590 (8) |
C16—C17 | 1.392 (17) | O5—P2 | 1.580 (9) |
C16—H16 | 0.93 | O6—P2 | 1.582 (8) |
N8—Ag1—N4i | 138.6 (5) | N8—C21—H21 | 119.6 |
N8—Ag1—N6ii | 126.8 (4) | C22—C21—H21 | 119.6 |
N4i—Ag1—N6ii | 89.8 (5) | C23—C22—O3 | 126.4 (11) |
N8—Ag1—N10 | 98.2 (6) | C23—C22—C21 | 120.1 (12) |
N4i—Ag1—N10 | 98.3 (6) | O3—C22—C21 | 113.5 (10) |
N6ii—Ag1—N10 | 93.2 (7) | C22—C23—C24 | 118.4 (12) |
N7—Ag2—N5iii | 170.2 (4) | C22—C23—H23 | 120.8 |
F1—B1—F4 | 140 (6) | C24—C23—H23 | 120.8 |
F1—B1—F3 | 107 (4) | C25—C24—C23 | 118.2 (13) |
F4—B1—F3 | 109 (4) | C25—C24—H24 | 120.9 |
F1—B1—F2 | 91 (3) | C23—C24—H24 | 120.9 |
F4—B1—F2 | 101 (3) | N8—C25—C24 | 123.4 (13) |
F3—B1—F2 | 99 (4) | N8—C25—H25 | 118.3 |
F6—B2—F8 | 115 (4) | C24—C25—H25 | 118.3 |
F6—B2—F5 | 124 (5) | N6—C26—C27 | 123.0 (12) |
F8—B2—F5 | 109 (4) | N6—C26—H26 | 118.5 |
F6—B2—F7 | 108 (4) | C27—C26—H26 | 118.5 |
F8—B2—F7 | 102 (4) | C28—C27—C26 | 120.6 (14) |
F5—B2—F7 | 95 (3) | C28—C27—O2 | 120.3 (13) |
N7—C1—C2 | 121.8 (11) | C26—C27—O2 | 119.1 (12) |
N7—C1—H1 | 119.1 | C27—C28—C29 | 116.4 (15) |
C2—C1—H1 | 119.1 | C27—C28—H28 | 121.8 |
C3—C2—C1 | 120.8 (11) | C29—C28—H28 | 121.8 |
C3—C2—O1 | 121.1 (11) | C30—C29—C28 | 119.9 (14) |
C1—C2—O1 | 118.1 (10) | C30—C29—H29 | 120.0 |
C2—C3—C4 | 118.5 (12) | C28—C29—H29 | 120.0 |
C2—C3—H3 | 120.8 | N6—C30—C29 | 122.9 (15) |
C4—C3—H3 | 120.8 | N6—C30—H30 | 118.6 |
C5—C4—C3 | 119.7 (13) | C29—C30—H30 | 118.6 |
C5—C4—H4 | 120.1 | N10—C31—C32 | 179 (3) |
C3—C4—H4 | 120.1 | C31—C32—H32A | 109.5 |
C4—C5—N7 | 121.8 (13) | C31—C32—H32B | 109.5 |
C4—C5—H5 | 119.1 | H32A—C32—H32B | 109.5 |
N7—C5—H5 | 119.1 | C31—C32—H32C | 109.5 |
N4—C6—C7 | 123.5 (13) | H32A—C32—H32C | 109.5 |
N4—C6—H6 | 118.3 | H32B—C32—H32C | 109.5 |
C7—C6—H6 | 118.3 | P3—N1—P1 | 120.1 (6) |
C8—C7—C6 | 120.2 (13) | P2—N2—P3 | 120.2 (5) |
C8—C7—O5 | 122.2 (12) | P2—N3—P1 | 122.1 (6) |
C6—C7—O5 | 117.3 (12) | C6—N4—C10 | 117.8 (13) |
C7—C8—C9 | 117.5 (14) | C6—N4—Ag1iv | 122.5 (11) |
C7—C8—H8 | 121.2 | C10—N4—Ag1iv | 116.9 (9) |
C9—C8—H8 | 121.2 | C15—N5—C11 | 116.8 (11) |
C10—C9—C8 | 118.7 (13) | C15—N5—Ag2v | 121.4 (9) |
C10—C9—H9 | 120.6 | C11—N5—Ag2v | 121.5 (8) |
C8—C9—H9 | 120.6 | C26—N6—C30 | 117.0 (13) |
N4—C10—C9 | 122.1 (14) | C26—N6—Ag1vi | 127.4 (10) |
N4—C10—H10 | 119.0 | C30—N6—Ag1vi | 115.2 (10) |
C9—C10—H10 | 119.0 | C1—N7—C5 | 117.3 (11) |
N5—C11—C12 | 122.2 (11) | C1—N7—Ag2 | 119.4 (8) |
N5—C11—H11 | 118.9 | C5—N7—Ag2 | 122.6 (9) |
C12—C11—H11 | 118.9 | C25—N8—C21 | 119.0 (12) |
C11—C12—C13 | 120.2 (11) | C25—N8—Ag1 | 126.0 (10) |
C11—C12—O6 | 114.9 (9) | C21—N8—Ag1 | 114.3 (8) |
C13—C12—O6 | 124.5 (11) | C16—N9—C20 | 115.7 (12) |
C12—C13—C14 | 117.3 (12) | C31—N10—Ag1 | 125 (2) |
C12—C13—H13 | 121.3 | C2—O1—P1 | 120.7 (7) |
C14—C13—H13 | 121.3 | C27—O2—P1 | 121.6 (8) |
C15—C14—C13 | 115.9 (12) | C22—O3—P3 | 129.3 (8) |
C15—C14—H14 | 122.1 | C17—O4—P3 | 118.6 (7) |
C13—C14—H14 | 122.1 | C7—O5—P2 | 127.8 (8) |
N5—C15—C14 | 127.7 (13) | C12—O6—P2 | 125.6 (6) |
N5—C15—H15 | 116.2 | N3—P1—O1 | 110.9 (5) |
C14—C15—H15 | 116.2 | N3—P1—N1 | 117.3 (5) |
N9—C16—C17 | 124.0 (13) | O1—P1—N1 | 109.3 (5) |
N9—C16—H16 | 118.0 | N3—P1—O2 | 108.7 (5) |
C17—C16—H16 | 118.0 | O1—P1—O2 | 98.6 (5) |
C18—C17—C16 | 120.7 (12) | N1—P1—O2 | 110.5 (5) |
C18—C17—O4 | 119.9 (11) | N3—P2—O5 | 112.0 (5) |
C16—C17—O4 | 119.4 (10) | N3—P2—O6 | 111.0 (5) |
C17—C18—C19 | 115.8 (14) | O5—P2—O6 | 98.1 (4) |
C17—C18—H18 | 122.1 | N3—P2—N2 | 118.4 (5) |
C19—C18—H18 | 122.1 | O5—P2—N2 | 104.8 (5) |
C20—C19—C18 | 120.6 (15) | O6—P2—N2 | 110.4 (5) |
C20—C19—H19 | 119.7 | N1—P3—O3 | 111.0 (5) |
C18—C19—H19 | 119.7 | N1—P3—N2 | 118.4 (5) |
N9—C20—C19 | 123.2 (14) | O3—P3—N2 | 104.4 (5) |
N9—C20—H20 | 118.4 | N1—P3—O4 | 110.5 (5) |
C19—C20—H20 | 118.4 | O3—P3—O4 | 100.0 (5) |
N8—C21—C22 | 120.9 (12) | N2—P3—O4 | 110.8 (5) |
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y+1, z; (iii) x+1, y−1, z; (iv) x−1, y−1, z−1; (v) x−1, y+1, z; (vi) x−1, y−1, z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C1—H1···F8 | 0.93 | 2.45 | 3.30 (2) | 152 |
C5—H5···F3vii | 0.93 | 2.59 | 3.52 (3) | 171 |
C8—H8···O6 | 0.93 | 2.41 | 2.942 (16) | 117 |
C9—H9···F4viii | 0.93 | 2.61 | 3.42 (3) | 146 |
C10—H10···F6ix | 0.93 | 2.42 | 3.20 (3) | 142 |
C11—H11···F1viii | 0.93 | 2.44 | 3.18 (3) | 136 |
C13—H13···F7x | 0.93 | 2.62 | 3.13 (2) | 115 |
C16—H16···F8 | 0.93 | 2.51 | 3.26 (3) | 138 |
C18—H18···F2 | 0.93 | 2.42 | 3.09 (3) | 129 |
C21—H21···F6x | 0.93 | 2.30 | 3.14 (3) | 149 |
C21—H21···F7x | 0.93 | 2.60 | 3.44 (3) | 151 |
C32—H32B···F6ii | 0.96 | 2.43 | 3.30 (4) | 151 |
C32—H32B···F7ii | 0.96 | 2.53 | 3.42 (4) | 155 |
Symmetry codes: (ii) x+1, y+1, z; (vii) x, y−1, z; (viii) x−1, y, z; (ix) x−1, y, z−1; (x) x, y+1, z. |
C30H24N9O6P3 | F(000) = 1440 |
Mr = 699.49 | Dx = 1.524 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 17.9886 (3) Å | Cell parameters from 134 reflections |
b = 22.4886 (4) Å | θ = 2.4–27.6° |
c = 7.5366 (1) Å | µ = 0.26 mm−1 |
β = 90.522 (1)° | T = 150 K |
V = 3048.72 (8) Å3 | Block, clear colourless |
Z = 4 | 0.30 × 0.23 × 0.14 mm |
Bruker APEX II QUAZAR three-circle diffractometer | 5366 independent reflections |
Multilayer QUAZAR mirrors monochromator | 4680 reflections with I > 2σ(I) |
Detector resolution: 8.3333 pixels mm-1 | Rint = 0.037 |
φ and ω scans | θmax = 25.0°, θmin = 1.1° |
Absorption correction: multi-scan SADABS (Bruker AXS) | h = −21→21 |
Tmin = 0.87, Tmax = 0.96 | k = −26→26 |
39717 measured reflections | l = −8→8 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.032 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.088 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0417P)2 + 1.833P] where P = (Fo2 + 2Fc2)/3 |
5366 reflections | (Δ/σ)max = 0.001 |
433 parameters | Δρmax = 0.27 e Å−3 |
0 restraints | Δρmin = −0.47 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.29111 (11) | 0.35622 (8) | 0.0709 (2) | 0.0292 (4) | |
H1 | 0.2617 | 0.3797 | −0.0075 | 0.035* | |
C2 | 0.35574 (10) | 0.38011 (8) | 0.1412 (2) | 0.0242 (4) | |
C3 | 0.40142 (11) | 0.34676 (9) | 0.2493 (3) | 0.0311 (4) | |
H3 | 0.4467 | 0.3624 | 0.2955 | 0.037* | |
C4 | 0.37861 (12) | 0.28932 (9) | 0.2881 (3) | 0.0371 (5) | |
H4 | 0.4082 | 0.2643 | 0.3617 | 0.045* | |
C5 | 0.31227 (12) | 0.26922 (9) | 0.2180 (3) | 0.0367 (5) | |
H5 | 0.2965 | 0.2302 | 0.2483 | 0.044* | |
C6 | 0.12800 (10) | 0.42073 (9) | 0.6978 (2) | 0.0313 (4) | |
H6 | 0.1158 | 0.4577 | 0.7513 | 0.038* | |
C7 | 0.19570 (10) | 0.41487 (8) | 0.6163 (2) | 0.0249 (4) | |
C8 | 0.21515 (11) | 0.36261 (9) | 0.5373 (3) | 0.0360 (5) | |
H8 | 0.2617 | 0.3581 | 0.4803 | 0.043* | |
C9 | 0.16445 (13) | 0.31649 (10) | 0.5433 (3) | 0.0454 (6) | |
H9 | 0.1754 | 0.2793 | 0.4895 | 0.054* | |
C10 | 0.09808 (12) | 0.32513 (10) | 0.6282 (3) | 0.0426 (5) | |
H10 | 0.064 | 0.2929 | 0.6331 | 0.051* | |
C11 | 0.05773 (11) | 0.35574 (8) | 0.1736 (3) | 0.0309 (4) | |
H11 | 0.0934 | 0.3331 | 0.1105 | 0.037* | |
C12 | 0.06870 (10) | 0.41636 (8) | 0.1913 (2) | 0.0238 (4) | |
C13 | 0.01823 (10) | 0.45081 (8) | 0.2805 (3) | 0.0289 (4) | |
H13 | 0.0246 | 0.4926 | 0.2922 | 0.035* | |
C14 | −0.04245 (11) | 0.42175 (9) | 0.3529 (3) | 0.0332 (5) | |
H14 | −0.0788 | 0.4433 | 0.4171 | 0.04* | |
C15 | −0.04925 (11) | 0.36127 (9) | 0.3302 (3) | 0.0357 (5) | |
H15 | −0.091 | 0.3421 | 0.381 | 0.043* | |
C16 | 0.17387 (11) | 0.72065 (9) | 0.0709 (3) | 0.0355 (5) | |
H16 | 0.1863 | 0.7617 | 0.0759 | 0.043* | |
C17 | 0.11277 (11) | 0.70184 (9) | 0.1641 (3) | 0.0331 (4) | |
H17 | 0.0836 | 0.7294 | 0.2289 | 0.04* | |
C18 | 0.09446 (10) | 0.64190 (8) | 0.1618 (3) | 0.0279 (4) | |
H18 | 0.0529 | 0.627 | 0.2247 | 0.033* | |
C19 | 0.13935 (9) | 0.60502 (8) | 0.0642 (2) | 0.0224 (4) | |
C20 | 0.19876 (11) | 0.62728 (8) | −0.0291 (2) | 0.0293 (4) | |
H20 | 0.2278 | 0.6007 | −0.0978 | 0.035* | |
C21 | 0.40270 (13) | 0.70419 (10) | 0.4893 (3) | 0.0463 (6) | |
H21 | 0.4354 | 0.7366 | 0.4684 | 0.056* | |
C22 | 0.33780 (13) | 0.70141 (9) | 0.3927 (3) | 0.0433 (5) | |
H22 | 0.326 | 0.7314 | 0.3081 | 0.052* | |
C23 | 0.29002 (11) | 0.65459 (9) | 0.4202 (3) | 0.0340 (5) | |
H23 | 0.2448 | 0.6511 | 0.3551 | 0.041* | |
C24 | 0.31012 (10) | 0.61336 (8) | 0.5445 (2) | 0.0255 (4) | |
C25 | 0.37578 (12) | 0.61898 (10) | 0.6368 (3) | 0.0406 (5) | |
H25 | 0.3884 | 0.5896 | 0.7227 | 0.049* | |
C26 | 0.56178 (12) | 0.62692 (10) | 0.2686 (3) | 0.0394 (5) | |
H26 | 0.604 | 0.6472 | 0.3148 | 0.047* | |
C27 | 0.55170 (11) | 0.56839 (10) | 0.3165 (3) | 0.0389 (5) | |
H27 | 0.5867 | 0.549 | 0.392 | 0.047* | |
C28 | 0.48981 (11) | 0.53807 (9) | 0.2529 (3) | 0.0337 (5) | |
H28 | 0.4811 | 0.4976 | 0.2827 | 0.04* | |
C29 | 0.44158 (10) | 0.56913 (8) | 0.1449 (2) | 0.0252 (4) | |
C30 | 0.45610 (11) | 0.62755 (8) | 0.1013 (3) | 0.0305 (4) | |
H30 | 0.4222 | 0.6478 | 0.0253 | 0.037* | |
N1 | 0.32721 (8) | 0.49694 (6) | 0.36274 (19) | 0.0230 (3) | |
N2 | 0.17849 (8) | 0.51282 (6) | 0.35753 (19) | 0.0226 (3) | |
N3 | 0.25182 (8) | 0.49351 (6) | 0.05206 (19) | 0.0220 (3) | |
N4 | 0.21692 (9) | 0.68504 (7) | −0.0261 (2) | 0.0360 (4) | |
N5 | 0.42250 (10) | 0.66400 (9) | 0.6108 (3) | 0.0522 (5) | |
N6 | 0.51577 (10) | 0.65673 (8) | 0.1614 (2) | 0.0382 (4) | |
N7 | 0.26871 (10) | 0.30117 (7) | 0.1099 (2) | 0.0362 (4) | |
N8 | −0.00072 (10) | 0.32780 (7) | 0.2413 (2) | 0.0373 (4) | |
N9 | 0.07902 (9) | 0.37641 (8) | 0.7042 (2) | 0.0397 (4) | |
O1 | 0.37806 (7) | 0.43799 (5) | 0.09514 (16) | 0.0253 (3) | |
O2 | 0.37689 (7) | 0.54492 (6) | 0.06953 (16) | 0.0271 (3) | |
O3 | 0.13279 (7) | 0.43825 (5) | 0.11068 (16) | 0.0265 (3) | |
O4 | 0.12198 (6) | 0.54397 (5) | 0.05537 (16) | 0.0238 (3) | |
O5 | 0.24507 (7) | 0.46282 (6) | 0.62468 (16) | 0.0328 (3) | |
O6 | 0.26368 (7) | 0.56576 (6) | 0.58976 (17) | 0.0335 (3) | |
P1 | 0.32885 (2) | 0.493246 (19) | 0.15298 (6) | 0.02028 (12) | |
P2 | 0.25349 (3) | 0.50897 (2) | 0.46842 (6) | 0.02227 (12) | |
P3 | 0.17570 (2) | 0.498073 (19) | 0.15261 (6) | 0.01990 (12) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0345 (10) | 0.0248 (10) | 0.0282 (10) | 0.0037 (8) | −0.0017 (8) | −0.0042 (8) |
C2 | 0.0280 (9) | 0.0220 (9) | 0.0227 (9) | 0.0018 (7) | 0.0081 (7) | −0.0030 (7) |
C3 | 0.0282 (10) | 0.0354 (11) | 0.0296 (10) | 0.0069 (8) | 0.0022 (8) | −0.0026 (8) |
C4 | 0.0469 (12) | 0.0309 (11) | 0.0335 (11) | 0.0135 (9) | 0.0014 (9) | 0.0025 (9) |
C5 | 0.0524 (13) | 0.0231 (10) | 0.0346 (11) | 0.0025 (9) | 0.0051 (10) | −0.0023 (9) |
C6 | 0.0300 (10) | 0.0381 (11) | 0.0257 (10) | 0.0031 (9) | 0.0034 (8) | 0.0031 (8) |
C7 | 0.0230 (9) | 0.0324 (10) | 0.0194 (9) | −0.0018 (8) | −0.0005 (7) | 0.0087 (8) |
C8 | 0.0269 (10) | 0.0401 (12) | 0.0410 (12) | 0.0082 (9) | 0.0052 (9) | 0.0034 (9) |
C9 | 0.0460 (13) | 0.0295 (11) | 0.0605 (15) | 0.0049 (10) | −0.0011 (11) | 0.0033 (10) |
C10 | 0.0380 (12) | 0.0389 (12) | 0.0507 (14) | −0.0101 (10) | −0.0050 (10) | 0.0176 (10) |
C11 | 0.0353 (11) | 0.0253 (10) | 0.0320 (11) | −0.0036 (8) | 0.0001 (8) | −0.0004 (8) |
C12 | 0.0233 (9) | 0.0252 (9) | 0.0228 (9) | −0.0055 (7) | −0.0034 (7) | 0.0017 (7) |
C13 | 0.0277 (10) | 0.0261 (10) | 0.0329 (10) | −0.0030 (8) | −0.0006 (8) | −0.0015 (8) |
C14 | 0.0245 (10) | 0.0413 (12) | 0.0336 (11) | −0.0040 (8) | 0.0000 (8) | 0.0002 (9) |
C15 | 0.0311 (11) | 0.0413 (12) | 0.0346 (11) | −0.0131 (9) | −0.0046 (9) | 0.0084 (9) |
C16 | 0.0383 (11) | 0.0235 (10) | 0.0447 (12) | 0.0014 (9) | 0.0027 (9) | 0.0059 (9) |
C17 | 0.0332 (11) | 0.0266 (10) | 0.0395 (12) | 0.0081 (8) | 0.0041 (9) | 0.0007 (9) |
C18 | 0.0220 (9) | 0.0301 (10) | 0.0316 (10) | 0.0030 (8) | 0.0018 (8) | 0.0034 (8) |
C19 | 0.0226 (9) | 0.0233 (9) | 0.0213 (9) | 0.0007 (7) | −0.0039 (7) | 0.0027 (7) |
C20 | 0.0322 (10) | 0.0286 (10) | 0.0272 (10) | 0.0025 (8) | 0.0064 (8) | 0.0014 (8) |
C21 | 0.0408 (13) | 0.0288 (11) | 0.0696 (16) | −0.0080 (10) | 0.0148 (12) | −0.0125 (11) |
C22 | 0.0515 (14) | 0.0296 (11) | 0.0490 (13) | 0.0073 (10) | 0.0078 (11) | 0.0015 (10) |
C23 | 0.0301 (10) | 0.0355 (11) | 0.0363 (11) | 0.0056 (9) | −0.0040 (9) | −0.0043 (9) |
C24 | 0.0246 (9) | 0.0271 (10) | 0.0249 (9) | −0.0024 (7) | 0.0033 (7) | −0.0104 (8) |
C25 | 0.0398 (12) | 0.0375 (12) | 0.0441 (13) | −0.0020 (10) | −0.0143 (10) | −0.0015 (10) |
C26 | 0.0328 (11) | 0.0555 (14) | 0.0300 (11) | −0.0177 (10) | 0.0059 (9) | −0.0094 (10) |
C27 | 0.0251 (10) | 0.0580 (14) | 0.0336 (11) | −0.0037 (10) | −0.0005 (9) | 0.0030 (10) |
C28 | 0.0289 (10) | 0.0367 (11) | 0.0354 (11) | −0.0047 (9) | 0.0020 (8) | 0.0068 (9) |
C29 | 0.0216 (9) | 0.0315 (10) | 0.0225 (9) | −0.0056 (7) | 0.0053 (7) | −0.0020 (7) |
C30 | 0.0348 (11) | 0.0293 (10) | 0.0275 (10) | −0.0052 (8) | 0.0038 (8) | −0.0023 (8) |
N1 | 0.0231 (8) | 0.0268 (8) | 0.0191 (8) | −0.0008 (6) | −0.0010 (6) | −0.0004 (6) |
N2 | 0.0238 (8) | 0.0241 (8) | 0.0199 (8) | 0.0003 (6) | 0.0029 (6) | −0.0014 (6) |
N3 | 0.0249 (8) | 0.0246 (8) | 0.0164 (7) | −0.0014 (6) | 0.0011 (6) | −0.0006 (6) |
N4 | 0.0384 (9) | 0.0280 (9) | 0.0416 (10) | −0.0003 (7) | 0.0108 (8) | 0.0066 (8) |
N5 | 0.0349 (10) | 0.0464 (12) | 0.0750 (15) | −0.0090 (9) | −0.0143 (10) | −0.0085 (11) |
N6 | 0.0427 (10) | 0.0386 (10) | 0.0335 (10) | −0.0157 (8) | 0.0055 (8) | −0.0070 (8) |
N7 | 0.0445 (10) | 0.0255 (9) | 0.0386 (10) | −0.0008 (7) | −0.0005 (8) | −0.0051 (7) |
N8 | 0.0409 (10) | 0.0304 (9) | 0.0406 (10) | −0.0114 (8) | −0.0013 (8) | 0.0040 (8) |
N9 | 0.0271 (9) | 0.0524 (12) | 0.0398 (10) | −0.0043 (8) | 0.0060 (8) | 0.0106 (9) |
O1 | 0.0227 (6) | 0.0270 (7) | 0.0261 (7) | 0.0003 (5) | 0.0070 (5) | −0.0007 (5) |
O2 | 0.0262 (7) | 0.0301 (7) | 0.0250 (7) | −0.0076 (5) | −0.0006 (5) | 0.0052 (5) |
O3 | 0.0266 (7) | 0.0234 (7) | 0.0295 (7) | −0.0064 (5) | 0.0053 (5) | −0.0046 (5) |
O4 | 0.0230 (6) | 0.0231 (6) | 0.0253 (7) | −0.0020 (5) | −0.0031 (5) | 0.0000 (5) |
O5 | 0.0341 (7) | 0.0442 (8) | 0.0200 (7) | −0.0130 (6) | −0.0034 (5) | 0.0074 (6) |
O6 | 0.0373 (8) | 0.0386 (8) | 0.0248 (7) | −0.0125 (6) | 0.0093 (6) | −0.0121 (6) |
P1 | 0.0211 (2) | 0.0214 (2) | 0.0184 (2) | −0.00187 (18) | 0.00235 (18) | 0.00014 (17) |
P2 | 0.0247 (2) | 0.0257 (3) | 0.0164 (2) | −0.00448 (18) | 0.00163 (18) | −0.00168 (18) |
P3 | 0.0213 (2) | 0.0194 (2) | 0.0190 (2) | −0.00199 (17) | 0.00053 (18) | −0.00115 (17) |
C1—N7 | 1.335 (2) | C18—H18 | 0.95 |
C1—C2 | 1.382 (3) | C19—C20 | 1.378 (3) |
C1—H1 | 0.95 | C19—O4 | 1.410 (2) |
C2—C3 | 1.375 (3) | C20—N4 | 1.339 (2) |
C2—O1 | 1.407 (2) | C20—H20 | 0.95 |
C3—C4 | 1.387 (3) | C21—N5 | 1.333 (3) |
C3—H3 | 0.95 | C21—C22 | 1.372 (3) |
C4—C5 | 1.377 (3) | C21—H21 | 0.95 |
C4—H4 | 0.95 | C22—C23 | 1.376 (3) |
C5—N7 | 1.335 (3) | C22—H22 | 0.95 |
C5—H5 | 0.95 | C23—C24 | 1.365 (3) |
C6—N9 | 1.332 (3) | C23—H23 | 0.95 |
C6—C7 | 1.375 (3) | C24—C25 | 1.371 (3) |
C6—H6 | 0.95 | C24—O6 | 1.402 (2) |
C7—C8 | 1.364 (3) | C25—N5 | 1.331 (3) |
C7—O5 | 1.398 (2) | C25—H25 | 0.95 |
C8—C9 | 1.382 (3) | C26—N6 | 1.332 (3) |
C8—H8 | 0.95 | C26—C27 | 1.377 (3) |
C9—C10 | 1.373 (3) | C26—H26 | 0.95 |
C9—H9 | 0.95 | C27—C28 | 1.387 (3) |
C10—N9 | 1.334 (3) | C27—H27 | 0.95 |
C10—H10 | 0.95 | C28—C29 | 1.375 (3) |
C11—N8 | 1.330 (3) | C28—H28 | 0.95 |
C11—C12 | 1.384 (3) | C29—C30 | 1.380 (3) |
C11—H11 | 0.95 | C29—O2 | 1.401 (2) |
C12—C13 | 1.374 (3) | C30—N6 | 1.334 (2) |
C12—O3 | 1.398 (2) | C30—H30 | 0.95 |
C13—C14 | 1.388 (3) | N1—P2 | 1.5765 (15) |
C13—H13 | 0.95 | N1—P1 | 1.5836 (15) |
C14—C15 | 1.376 (3) | N2—P3 | 1.5800 (15) |
C14—H14 | 0.95 | N2—P2 | 1.5829 (15) |
C15—N8 | 1.337 (3) | N3—P3 | 1.5744 (15) |
C15—H15 | 0.95 | N3—P1 | 1.5746 (15) |
C16—N4 | 1.336 (3) | O1—P1 | 1.5890 (12) |
C16—C17 | 1.376 (3) | O2—P1 | 1.5821 (12) |
C16—H16 | 0.95 | O3—P3 | 1.5816 (12) |
C17—C18 | 1.388 (3) | O4—P3 | 1.5884 (12) |
C17—H17 | 0.95 | O5—P2 | 1.5779 (13) |
C18—C19 | 1.375 (3) | O6—P2 | 1.5806 (13) |
N7—C1—C2 | 122.05 (18) | C22—C21—H21 | 118.2 |
N7—C1—H1 | 119.0 | C21—C22—C23 | 119.0 (2) |
C2—C1—H1 | 119.0 | C21—C22—H22 | 120.5 |
C3—C2—C1 | 120.76 (17) | C23—C22—H22 | 120.5 |
C3—C2—O1 | 118.73 (16) | C24—C23—C22 | 117.47 (19) |
C1—C2—O1 | 120.42 (16) | C24—C23—H23 | 121.3 |
C2—C3—C4 | 117.16 (18) | C22—C23—H23 | 121.3 |
C2—C3—H3 | 121.4 | C23—C24—C25 | 120.49 (18) |
C4—C3—H3 | 121.4 | C23—C24—O6 | 122.08 (16) |
C5—C4—C3 | 118.80 (19) | C25—C24—O6 | 117.35 (17) |
C5—C4—H4 | 120.6 | N5—C25—C24 | 122.5 (2) |
C3—C4—H4 | 120.6 | N5—C25—H25 | 118.8 |
N7—C5—C4 | 124.01 (19) | C24—C25—H25 | 118.8 |
N7—C5—H5 | 118.0 | N6—C26—C27 | 123.86 (19) |
C4—C5—H5 | 118.0 | N6—C26—H26 | 118.1 |
N9—C6—C7 | 122.23 (19) | C27—C26—H26 | 118.1 |
N9—C6—H6 | 118.9 | C26—C27—C28 | 119.1 (2) |
C7—C6—H6 | 118.9 | C26—C27—H27 | 120.4 |
C8—C7—C6 | 120.61 (18) | C28—C27—H27 | 120.4 |
C8—C7—O5 | 121.25 (17) | C29—C28—C27 | 117.04 (19) |
C6—C7—O5 | 118.06 (17) | C29—C28—H28 | 121.5 |
C7—C8—C9 | 117.38 (19) | C27—C28—H28 | 121.5 |
C7—C8—H8 | 121.3 | C28—C29—C30 | 120.34 (17) |
C9—C8—H8 | 121.3 | C28—C29—O2 | 124.06 (17) |
C10—C9—C8 | 119.1 (2) | C30—C29—O2 | 115.58 (16) |
C10—C9—H9 | 120.5 | N6—C30—C29 | 122.76 (19) |
C8—C9—H9 | 120.5 | N6—C30—H30 | 118.6 |
N9—C10—C9 | 123.4 (2) | C29—C30—H30 | 118.6 |
N9—C10—H10 | 118.3 | P2—N1—P1 | 122.46 (9) |
C9—C10—H10 | 118.3 | P3—N2—P2 | 121.60 (9) |
N8—C11—C12 | 122.73 (19) | P3—N3—P1 | 122.22 (9) |
N8—C11—H11 | 118.6 | C16—N4—C20 | 116.59 (17) |
C12—C11—H11 | 118.6 | C25—N5—C21 | 116.86 (19) |
C13—C12—C11 | 120.56 (17) | C26—N6—C30 | 116.86 (18) |
C13—C12—O3 | 124.43 (16) | C5—N7—C1 | 117.16 (18) |
C11—C12—O3 | 115.00 (16) | C11—N8—C15 | 116.63 (17) |
C12—C13—C14 | 116.89 (18) | C6—N9—C10 | 117.32 (18) |
C12—C13—H13 | 121.6 | C2—O1—P1 | 119.66 (10) |
C14—C13—H13 | 121.6 | C29—O2—P1 | 125.39 (11) |
C15—C14—C13 | 119.07 (19) | C12—O3—P3 | 128.01 (11) |
C15—C14—H14 | 120.5 | C19—O4—P3 | 118.52 (10) |
C13—C14—H14 | 120.5 | C7—O5—P2 | 122.60 (11) |
N8—C15—C14 | 124.11 (19) | C24—O6—P2 | 122.85 (11) |
N8—C15—H15 | 117.9 | N3—P1—O2 | 106.66 (7) |
C14—C15—H15 | 117.9 | N3—P1—N1 | 117.24 (8) |
N4—C16—C17 | 124.36 (18) | O2—P1—N1 | 111.93 (7) |
N4—C16—H16 | 117.8 | N3—P1—O1 | 111.13 (7) |
C17—C16—H16 | 117.8 | O2—P1—O1 | 99.07 (7) |
C16—C17—C18 | 118.86 (18) | N1—P1—O1 | 109.29 (7) |
C16—C17—H17 | 120.6 | N1—P2—O5 | 110.56 (8) |
C18—C17—H17 | 120.6 | N1—P2—O6 | 109.71 (7) |
C19—C18—C17 | 116.87 (17) | O5—P2—O6 | 96.38 (7) |
C19—C18—H18 | 121.6 | N1—P2—N2 | 117.35 (8) |
C17—C18—H18 | 121.6 | O5—P2—N2 | 110.05 (7) |
C18—C19—C20 | 121.02 (17) | O6—P2—N2 | 110.80 (8) |
C18—C19—O4 | 118.79 (16) | N3—P3—N2 | 117.65 (8) |
C20—C19—O4 | 120.15 (16) | N3—P3—O3 | 105.87 (7) |
N4—C20—C19 | 122.26 (18) | N2—P3—O3 | 112.64 (7) |
N4—C20—H20 | 118.9 | N3—P3—O4 | 110.39 (7) |
C19—C20—H20 | 118.9 | N2—P3—O4 | 109.17 (7) |
N5—C21—C22 | 123.7 (2) | O3—P3—O4 | 99.60 (7) |
N5—C21—H21 | 118.2 | ||
N7—C1—C2—C3 | 2.7 (3) | C3—C2—O1—P1 | −118.00 (16) |
N7—C1—C2—O1 | 179.12 (16) | C1—C2—O1—P1 | 65.5 (2) |
C1—C2—C3—C4 | −1.8 (3) | C28—C29—O2—P1 | 29.3 (2) |
O1—C2—C3—C4 | −178.30 (16) | C30—C29—O2—P1 | −152.01 (14) |
C2—C3—C4—C5 | −0.3 (3) | C13—C12—O3—P3 | 22.0 (2) |
C3—C4—C5—N7 | 1.8 (3) | C11—C12—O3—P3 | −158.85 (14) |
N9—C6—C7—C8 | 0.3 (3) | C18—C19—O4—P3 | −110.75 (16) |
N9—C6—C7—O5 | −176.60 (17) | C20—C19—O4—P3 | 71.61 (19) |
C6—C7—C8—C9 | −0.2 (3) | C8—C7—O5—P2 | 84.8 (2) |
O5—C7—C8—C9 | 176.61 (17) | C6—C7—O5—P2 | −98.37 (18) |
C7—C8—C9—C10 | −0.4 (3) | C23—C24—O6—P2 | 76.6 (2) |
C8—C9—C10—N9 | 0.9 (3) | C25—C24—O6—P2 | −106.65 (18) |
N8—C11—C12—C13 | −0.4 (3) | P3—N3—P1—O2 | −125.55 (10) |
N8—C11—C12—O3 | −179.54 (17) | P3—N3—P1—N1 | 0.79 (14) |
C11—C12—C13—C14 | 1.0 (3) | P3—N3—P1—O1 | 127.47 (10) |
O3—C12—C13—C14 | −179.94 (16) | C29—O2—P1—N3 | 164.55 (13) |
C12—C13—C14—C15 | −0.7 (3) | C29—O2—P1—N1 | 35.08 (16) |
C13—C14—C15—N8 | −0.2 (3) | C29—O2—P1—O1 | −80.06 (14) |
N4—C16—C17—C18 | 1.3 (3) | P2—N1—P1—N3 | −8.01 (14) |
C16—C17—C18—C19 | −0.3 (3) | P2—N1—P1—O2 | 115.70 (10) |
C17—C18—C19—C20 | −1.2 (3) | P2—N1—P1—O1 | −135.58 (10) |
C17—C18—C19—O4 | −178.80 (16) | C2—O1—P1—N3 | −67.69 (14) |
C18—C19—C20—N4 | 1.7 (3) | C2—O1—P1—O2 | −179.59 (12) |
O4—C19—C20—N4 | 179.32 (16) | C2—O1—P1—N1 | 63.24 (14) |
N5—C21—C22—C23 | −0.5 (3) | P1—N1—P2—O5 | 131.64 (10) |
C21—C22—C23—C24 | 0.4 (3) | P1—N1—P2—O6 | −123.27 (10) |
C22—C23—C24—C25 | −0.2 (3) | P1—N1—P2—N2 | 4.32 (14) |
C22—C23—C24—O6 | 176.43 (17) | C7—O5—P2—N1 | −104.12 (15) |
C23—C24—C25—N5 | 0.0 (3) | C7—O5—P2—O6 | 142.03 (14) |
O6—C24—C25—N5 | −176.81 (19) | C7—O5—P2—N2 | 27.12 (16) |
N6—C26—C27—C28 | −1.0 (3) | C24—O6—P2—N1 | 30.59 (16) |
C26—C27—C28—C29 | −0.3 (3) | C24—O6—P2—O5 | 145.13 (14) |
C27—C28—C29—C30 | 1.1 (3) | C24—O6—P2—N2 | −100.57 (15) |
C27—C28—C29—O2 | 179.71 (17) | P3—N2—P2—N1 | 6.78 (14) |
C28—C29—C30—N6 | −0.7 (3) | P3—N2—P2—O5 | −120.78 (11) |
O2—C29—C30—N6 | −179.49 (17) | P3—N2—P2—O6 | 133.85 (10) |
C17—C16—N4—C20 | −0.8 (3) | P1—N3—P3—N2 | 9.62 (14) |
C19—C20—N4—C16 | −0.7 (3) | P1—N3—P3—O3 | −117.30 (10) |
C24—C25—N5—C21 | 0.0 (3) | P1—N3—P3—O4 | 135.80 (10) |
C22—C21—N5—C25 | 0.2 (3) | P2—N2—P3—N3 | −13.54 (14) |
C27—C26—N6—C30 | 1.3 (3) | P2—N2—P3—O3 | 110.04 (11) |
C29—C30—N6—C26 | −0.5 (3) | P2—N2—P3—O4 | −140.31 (10) |
C4—C5—N7—C1 | −1.1 (3) | C12—O3—P3—N3 | 168.41 (14) |
C2—C1—N7—C5 | −1.2 (3) | C12—O3—P3—N2 | 38.51 (16) |
C12—C11—N8—C15 | −0.5 (3) | C12—O3—P3—O4 | −77.05 (15) |
C14—C15—N8—C11 | 0.8 (3) | C19—O4—P3—N3 | −70.60 (13) |
C7—C6—N9—C10 | 0.2 (3) | C19—O4—P3—N2 | 60.20 (14) |
C9—C10—N9—C6 | −0.8 (3) | C19—O4—P3—O3 | 178.38 (12) |
C30H26Ag2N10O10P3·NO3 | F(000) = 1052 |
Mr = 1057.27 | Dx = 1.899 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.2988 (2) Å | Cell parameters from 117 reflections |
b = 23.5144 (7) Å | θ = 3.7–21.4° |
c = 9.6730 (3) Å | µ = 1.27 mm−1 |
β = 101.610 (1)° | T = 150 K |
V = 1848.98 (9) Å3 | Block, clear colourless |
Z = 2 | 0.14 × 0.11 × 0.05 mm |
Bruker APEX II QUAZAR three-circle diffractometer | 6511 independent reflections |
Multilayer QUAZAR mirrors monochromator | 6244 reflections with I > 2σ(I) |
Detector resolution: 8.3333 pixels mm-1 | Rint = 0.048 |
φ and ω scans | θmax = 25.0°, θmin = 1.7° |
Absorption correction: multi-scan SADABS (Bruker AXS) | h = −9→9 |
Tmin = 0.76, Tmax = 0.94 | k = −27→27 |
24307 measured reflections | l = −11→11 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.028 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.066 | w = 1/[σ2(Fo2) + (0.0298P)2 + 0.7573P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
6511 reflections | Δρmax = 0.45 e Å−3 |
539 parameters | Δρmin = −0.61 e Å−3 |
4 restraints | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.235 (17) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > 2sigma(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.34021 (4) | 0.32038 (13) | 0.22564 (3) | 0.03003 (8) | |
Ag2 | 0.20589 (4) | 0.106008 (12) | 0.56158 (3) | 0.03209 (9) | |
C1 | 0.8395 (5) | 0.14828 (16) | 0.5282 (4) | 0.0260 (8) | |
H1 | 0.874 | 0.169 | 0.4549 | 0.031* | |
C2 | 0.6993 (4) | 0.16493 (15) | 0.5723 (4) | 0.0212 (8) | |
C3 | 0.6440 (5) | 0.13567 (17) | 0.6774 (4) | 0.0296 (9) | |
H3 | 0.5481 | 0.1472 | 0.7095 | 0.036* | |
C4 | 0.7348 (5) | 0.08867 (17) | 0.7340 (5) | 0.0329 (10) | |
H4 | 0.7001 | 0.0664 | 0.8045 | 0.039* | |
C5 | 0.8753 (5) | 0.07465 (17) | 0.6873 (5) | 0.0318 (10) | |
H5 | 0.9379 | 0.0429 | 0.7287 | 0.038* | |
C6 | 1.0081 (5) | 0.30656 (15) | 0.3242 (4) | 0.0219 (8) | |
H6 | 1.0422 | 0.2679 | 0.3288 | 0.026* | |
C7 | 0.8609 (4) | 0.32025 (17) | 0.3602 (3) | 0.0208 (7) | |
C8 | 0.8080 (5) | 0.37596 (17) | 0.3530 (5) | 0.0298 (9) | |
H8 | 0.7052 | 0.3861 | 0.375 | 0.036* | |
C9 | 0.9093 (6) | 0.41643 (17) | 0.3128 (5) | 0.0360 (11) | |
H9 | 0.8781 | 0.4554 | 0.3083 | 0.043* | |
C10 | 1.0571 (5) | 0.39999 (18) | 0.2789 (5) | 0.0308 (9) | |
H10 | 1.1264 | 0.4283 | 0.2519 | 0.037* | |
C11 | 0.2579 (5) | 0.24308 (16) | 0.6142 (4) | 0.0234 (8) | |
H11 | 0.2801 | 0.2425 | 0.5216 | 0.028* | |
C12 | 0.2596 (4) | 0.29461 (15) | 0.6851 (4) | 0.0191 (8) | |
C13 | 0.2254 (5) | 0.29713 (16) | 0.8171 (4) | 0.0211 (8) | |
H13 | 0.2264 | 0.3323 | 0.8654 | 0.025* | |
C14 | 0.1896 (5) | 0.24711 (16) | 0.8781 (4) | 0.0255 (9) | |
H14 | 0.1634 | 0.2473 | 0.9693 | 0.031* | |
C15 | 0.1920 (5) | 0.19650 (16) | 0.8053 (4) | 0.0254 (9) | |
H15 | 0.1691 | 0.1621 | 0.8493 | 0.03* | |
C16 | 0.5352 (5) | 0.22074 (18) | 1.1195 (4) | 0.0313 (9) | |
H16 | 0.4677 | 0.1983 | 1.1667 | 0.038* | |
C17 | 0.6521 (6) | 0.19373 (18) | 1.0602 (5) | 0.0395 (11) | |
H17 | 0.6645 | 0.1536 | 1.067 | 0.047* | |
C18 | 0.7520 (5) | 0.22594 (18) | 0.9902 (4) | 0.0324 (10) | |
H18 | 0.8345 | 0.2089 | 0.9487 | 0.039* | |
C19 | 0.7251 (5) | 0.28326 (16) | 0.9842 (4) | 0.0237 (8) | |
C20 | 0.6066 (4) | 0.30817 (16) | 1.0451 (4) | 0.0223 (8) | |
H20 | 0.5914 | 0.3482 | 1.0384 | 0.027* | |
C21 | 0.5741 (5) | 0.50349 (15) | 0.4992 (4) | 0.0215 (8) | |
H21 | 0.5967 | 0.4899 | 0.4125 | 0.026* | |
C22 | 0.4856 (4) | 0.46965 (15) | 0.5738 (4) | 0.0196 (8) | |
C23 | 0.4513 (5) | 0.48748 (16) | 0.7003 (4) | 0.0271 (9) | |
H23 | 0.3912 | 0.4644 | 0.7528 | 0.033* | |
C24 | 0.5089 (6) | 0.54079 (17) | 0.7472 (4) | 0.0322 (9) | |
H24 | 0.4895 | 0.555 | 0.8343 | 0.039* | |
C25 | 0.5934 (6) | 0.57296 (17) | 0.6684 (4) | 0.0313 (9) | |
H25 | 0.6288 | 0.6098 | 0.7015 | 0.038* | |
C26 | 0.8861 (6) | 0.45095 (18) | 0.9289 (5) | 0.0349 (10) | |
H26 | 0.8298 | 0.4243 | 0.9757 | 0.042* | |
C27 | 0.9342 (5) | 0.43539 (17) | 0.8057 (4) | 0.0263 (9) | |
C28 | 1.0104 (6) | 0.47383 (19) | 0.7347 (5) | 0.0363 (10) | |
H28 | 1.0418 | 0.4637 | 0.6488 | 0.044* | |
C29 | 1.0405 (6) | 0.52687 (19) | 0.7897 (5) | 0.0426 (11) | |
H29 | 1.0931 | 0.5545 | 0.7423 | 0.051* | |
C30 | 0.9940 (6) | 0.54017 (18) | 0.9147 (5) | 0.0385 (11) | |
H30 | 1.0176 | 0.5771 | 0.9532 | 0.046* | |
N1 | 0.5155 (4) | 0.31435 (13) | 0.4813 (3) | 0.0195 (6) | |
N2 | 0.7964 (4) | 0.28475 (13) | 0.6634 (3) | 0.0230 (7) | |
N3 | 0.5967 (4) | 0.36499 (13) | 0.7365 (3) | 0.0220 (7) | |
N4 | 0.5122 (4) | 0.27717 (14) | 1.1138 (3) | 0.0254 (7) | |
N5 | 0.9176 (5) | 0.50343 (16) | 0.9838 (4) | 0.0419 (10) | |
N6 | 0.6289 (4) | 0.55502 (13) | 0.5461 (4) | 0.0257 (7) | |
N7 | 1.1052 (4) | 0.34590 (14) | 0.2828 (3) | 0.0251 (7) | |
N8 | 0.9285 (4) | 0.10381 (15) | 0.5854 (4) | 0.0294 (7) | |
N9 | 0.1256 (5) | 0.17570 (14) | 0.2225 (4) | 0.0306 (8) | |
N10 | 0.3957 (4) | 0.44769 (14) | 0.0805 (4) | 0.0290 (8) | |
N11 | 0.2252 (4) | 0.19384 (13) | 0.6752 (3) | 0.0239 (7) | |
O1 | 0.6065 (3) | 0.21109 (11) | 0.5083 (3) | 0.0240 (6) | |
O2 | 0.7685 (3) | 0.27422 (10) | 0.3927 (3) | 0.0210 (5) | |
O3 | 0.2909 (3) | 0.34550 (10) | 0.6181 (3) | 0.0211 (5) | |
O4 | 0.4330 (3) | 0.41726 (10) | 0.5130 (3) | 0.0235 (6) | |
O5 | 0.9131 (3) | 0.38058 (11) | 0.7490 (3) | 0.0264 (6) | |
O6 | 0.8277 (3) | 0.31915 (12) | 0.9221 (2) | 0.0229 (5) | |
O7 | 0.1232 (6) | 0.16508 (15) | 0.0984 (3) | 0.0582 (11) | |
O8 | 0.0152 (5) | 0.16013 (16) | 0.2802 (5) | 0.0700 (13) | |
O9 | 0.2464 (4) | 0.20221 (14) | 0.2933 (4) | 0.0471 (9) | |
O10 | 0.4545 (5) | 0.42822 (15) | 0.1996 (3) | 0.0552 (10) | |
O11 | 0.4210 (4) | 0.49775 (13) | 0.0515 (3) | 0.0371 (7) | |
O12 | 0.3117 (5) | 0.41592 (15) | −0.0061 (4) | 0.0629 (12) | |
O13 | 0.2745 (4) | 0.04496 (14) | 0.8083 (3) | 0.0409 (8) | |
P1 | 0.67216 (12) | 0.27431 (4) | 0.51900 (10) | 0.01870 (19) | |
P2 | 0.77315 (12) | 0.33639 (4) | 0.76099 (10) | 0.0203 (2) | |
P3 | 0.46961 (11) | 0.35810 (4) | 0.59232 (10) | 0.0184 (2) | |
H1W | 0.371 (3) | 0.0310 (17) | 0.834 (4) | 0.028* | |
H2W | 0.219 (4) | 0.0309 (17) | 0.864 (4) | 0.028* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.02455 (15) | 0.03687 (17) | 0.03186 (16) | 0.00170 (14) | 0.01327 (12) | −0.00140 (14) |
Ag2 | 0.03070 (17) | 0.02298 (15) | 0.04540 (19) | 0.00665 (13) | 0.01440 (14) | −0.00558 (14) |
C1 | 0.024 (2) | 0.0240 (19) | 0.031 (2) | −0.0015 (16) | 0.0100 (17) | 0.0019 (16) |
C2 | 0.0184 (19) | 0.0173 (18) | 0.028 (2) | −0.0022 (15) | 0.0043 (16) | −0.0019 (15) |
C3 | 0.024 (2) | 0.028 (2) | 0.038 (2) | −0.0010 (17) | 0.0100 (18) | 0.0031 (18) |
C4 | 0.026 (2) | 0.030 (2) | 0.045 (3) | −0.0032 (17) | 0.011 (2) | 0.0109 (18) |
C5 | 0.031 (2) | 0.022 (2) | 0.041 (2) | 0.0006 (17) | 0.0017 (19) | 0.0069 (18) |
C6 | 0.0207 (19) | 0.022 (2) | 0.0233 (19) | 0.0018 (15) | 0.0059 (15) | −0.0006 (14) |
C7 | 0.0245 (18) | 0.0203 (17) | 0.0175 (16) | −0.0016 (17) | 0.0039 (14) | −0.0003 (16) |
C8 | 0.027 (2) | 0.028 (2) | 0.038 (2) | 0.0061 (17) | 0.0163 (19) | 0.0036 (17) |
C9 | 0.043 (3) | 0.019 (2) | 0.051 (3) | 0.0053 (19) | 0.022 (2) | 0.0086 (19) |
C10 | 0.032 (2) | 0.025 (2) | 0.038 (2) | −0.0020 (18) | 0.0132 (19) | 0.0069 (18) |
C11 | 0.0196 (19) | 0.026 (2) | 0.0257 (19) | −0.0002 (16) | 0.0074 (16) | 0.0004 (16) |
C12 | 0.0131 (17) | 0.0176 (17) | 0.027 (2) | −0.0023 (14) | 0.0053 (15) | 0.0041 (15) |
C13 | 0.0198 (19) | 0.0186 (18) | 0.025 (2) | −0.0007 (15) | 0.0042 (16) | −0.0062 (15) |
C14 | 0.027 (2) | 0.029 (2) | 0.0213 (19) | −0.0028 (17) | 0.0087 (17) | 0.0004 (16) |
C15 | 0.028 (2) | 0.019 (2) | 0.030 (2) | −0.0007 (16) | 0.0086 (17) | 0.0050 (16) |
C16 | 0.033 (2) | 0.032 (2) | 0.030 (2) | −0.0010 (19) | 0.0102 (19) | 0.0056 (18) |
C17 | 0.048 (3) | 0.023 (2) | 0.051 (3) | 0.006 (2) | 0.017 (2) | 0.0070 (19) |
C18 | 0.032 (2) | 0.032 (2) | 0.034 (2) | 0.0088 (18) | 0.0107 (19) | −0.0002 (18) |
C19 | 0.021 (2) | 0.029 (2) | 0.0202 (19) | −0.0018 (16) | 0.0023 (16) | 0.0032 (15) |
C20 | 0.0220 (19) | 0.023 (2) | 0.0218 (18) | 0.0003 (15) | 0.0040 (15) | 0.0028 (14) |
C21 | 0.024 (2) | 0.0164 (18) | 0.025 (2) | 0.0011 (15) | 0.0064 (16) | −0.0003 (15) |
C22 | 0.0186 (18) | 0.0113 (16) | 0.029 (2) | −0.0002 (14) | 0.0048 (16) | 0.0015 (15) |
C23 | 0.030 (2) | 0.0207 (19) | 0.035 (2) | 0.0032 (17) | 0.0155 (19) | 0.0071 (16) |
C24 | 0.044 (3) | 0.021 (2) | 0.035 (2) | 0.0025 (18) | 0.016 (2) | −0.0032 (17) |
C25 | 0.041 (2) | 0.017 (2) | 0.038 (2) | −0.0040 (17) | 0.012 (2) | −0.0061 (17) |
C26 | 0.043 (3) | 0.028 (2) | 0.036 (2) | −0.0067 (19) | 0.012 (2) | −0.0048 (18) |
C27 | 0.024 (2) | 0.0217 (19) | 0.031 (2) | −0.0011 (17) | 0.0021 (18) | −0.0014 (17) |
C28 | 0.035 (2) | 0.035 (2) | 0.039 (2) | −0.004 (2) | 0.009 (2) | 0.006 (2) |
C29 | 0.047 (3) | 0.024 (2) | 0.055 (3) | −0.008 (2) | 0.007 (2) | 0.006 (2) |
C30 | 0.038 (3) | 0.019 (2) | 0.055 (3) | −0.0037 (19) | 0.002 (2) | −0.0049 (19) |
N1 | 0.0197 (15) | 0.0182 (15) | 0.0209 (14) | −0.0004 (13) | 0.0050 (12) | −0.0012 (13) |
N2 | 0.0182 (16) | 0.0228 (17) | 0.0280 (17) | −0.0007 (13) | 0.0048 (14) | 0.0005 (13) |
N3 | 0.0245 (17) | 0.0201 (16) | 0.0230 (16) | 0.0009 (13) | 0.0086 (14) | −0.0015 (13) |
N4 | 0.0256 (17) | 0.0278 (17) | 0.0222 (16) | 0.0015 (14) | 0.0034 (14) | −0.0011 (14) |
N5 | 0.047 (2) | 0.028 (2) | 0.051 (2) | −0.0027 (17) | 0.011 (2) | −0.0128 (18) |
N6 | 0.0262 (17) | 0.0170 (16) | 0.0346 (18) | −0.0025 (13) | 0.0080 (15) | 0.0028 (13) |
N7 | 0.0240 (17) | 0.0258 (17) | 0.0268 (17) | 0.0028 (14) | 0.0087 (14) | 0.0005 (14) |
N8 | 0.0253 (17) | 0.0215 (16) | 0.0436 (19) | 0.0003 (16) | 0.0120 (15) | 0.0035 (17) |
N9 | 0.044 (2) | 0.0169 (17) | 0.034 (2) | 0.0020 (16) | 0.0138 (18) | 0.0026 (14) |
N10 | 0.0277 (19) | 0.0273 (19) | 0.033 (2) | −0.0001 (15) | 0.0085 (16) | −0.0058 (15) |
N11 | 0.0245 (17) | 0.0188 (16) | 0.0303 (18) | −0.0018 (13) | 0.0095 (14) | 0.0011 (13) |
O1 | 0.0212 (14) | 0.0197 (13) | 0.0315 (14) | −0.0014 (11) | 0.0061 (11) | 0.0013 (11) |
O2 | 0.0221 (14) | 0.0196 (13) | 0.0242 (14) | −0.0027 (10) | 0.0115 (11) | −0.0031 (10) |
O3 | 0.0200 (13) | 0.0163 (12) | 0.0285 (14) | 0.0022 (10) | 0.0088 (11) | 0.0020 (10) |
O4 | 0.0296 (15) | 0.0146 (13) | 0.0264 (14) | −0.0044 (11) | 0.0061 (12) | 0.0021 (10) |
O5 | 0.0251 (14) | 0.0225 (14) | 0.0336 (15) | −0.0050 (11) | 0.0108 (12) | −0.0043 (11) |
O6 | 0.0212 (12) | 0.0275 (13) | 0.0215 (12) | −0.0013 (12) | 0.0077 (10) | −0.0016 (12) |
O7 | 0.108 (3) | 0.043 (2) | 0.0275 (17) | −0.023 (2) | 0.0219 (19) | 0.0015 (15) |
O8 | 0.081 (3) | 0.049 (2) | 0.101 (3) | −0.021 (2) | 0.068 (3) | −0.024 (2) |
O9 | 0.043 (2) | 0.0420 (19) | 0.056 (2) | 0.0066 (16) | 0.0089 (17) | −0.0162 (16) |
O10 | 0.081 (3) | 0.046 (2) | 0.0311 (18) | −0.017 (2) | −0.0055 (18) | 0.0069 (15) |
O11 | 0.0419 (18) | 0.0283 (16) | 0.0423 (18) | −0.0021 (14) | 0.0117 (15) | 0.0046 (14) |
O12 | 0.074 (3) | 0.039 (2) | 0.060 (2) | −0.0054 (19) | −0.024 (2) | −0.0110 (18) |
O13 | 0.0394 (18) | 0.0401 (19) | 0.0442 (19) | 0.0084 (15) | 0.0106 (15) | 0.0143 (15) |
P1 | 0.0184 (5) | 0.0165 (4) | 0.0225 (5) | 0.0003 (4) | 0.0073 (4) | −0.0002 (4) |
P2 | 0.0189 (4) | 0.0208 (5) | 0.0219 (5) | −0.0010 (4) | 0.0059 (4) | −0.0007 (4) |
P3 | 0.0190 (5) | 0.0147 (4) | 0.0227 (5) | −0.0010 (4) | 0.0075 (4) | 0.0011 (4) |
Ag1—N4i | 2.205 (3) | C20—N4 | 1.340 (5) |
Ag1—N7ii | 2.215 (3) | C20—H20 | 0.95 |
Ag1—N1 | 2.608 (3) | C21—N6 | 1.341 (5) |
Ag2—N6iii | 2.231 (3) | C21—C22 | 1.381 (5) |
Ag2—N11 | 2.330 (3) | C21—H21 | 0.95 |
Ag2—N8ii | 2.360 (3) | C22—C23 | 1.376 (5) |
C1—N8 | 1.334 (5) | C22—O4 | 1.397 (4) |
C1—C2 | 1.375 (5) | C23—C24 | 1.385 (6) |
C1—H1 | 0.95 | C23—H23 | 0.95 |
C2—C3 | 1.381 (6) | C24—C25 | 1.364 (6) |
C2—O1 | 1.401 (4) | C24—H24 | 0.95 |
C3—C4 | 1.387 (6) | C25—N6 | 1.343 (5) |
C3—H3 | 0.95 | C25—H25 | 0.95 |
C4—C5 | 1.373 (6) | C26—N5 | 1.348 (6) |
C4—H4 | 0.95 | C26—C27 | 1.380 (6) |
C5—N8 | 1.346 (5) | C26—H26 | 0.95 |
C5—H5 | 0.95 | C27—C28 | 1.365 (6) |
C6—N7 | 1.340 (5) | C27—O5 | 1.398 (5) |
C6—C7 | 1.374 (5) | C28—C29 | 1.359 (6) |
C6—H6 | 0.95 | C28—H28 | 0.95 |
C7—C8 | 1.379 (6) | C29—C30 | 1.378 (7) |
C7—O2 | 1.398 (5) | C29—H29 | 0.95 |
C8—C9 | 1.376 (6) | C30—N5 | 1.329 (6) |
C8—H8 | 0.95 | C30—H30 | 0.95 |
C9—C10 | 1.387 (6) | N1—P1 | 1.587 (3) |
C9—H9 | 0.95 | N1—P3 | 1.588 (3) |
C10—N7 | 1.331 (5) | N2—P2 | 1.574 (3) |
C10—H10 | 0.95 | N2—P1 | 1.580 (3) |
C11—N11 | 1.351 (5) | N3—P3 | 1.579 (3) |
C11—C12 | 1.391 (5) | N3—P2 | 1.585 (3) |
C11—H11 | 0.95 | N4—Ag1iv | 2.205 (3) |
C12—C13 | 1.364 (5) | N6—Ag2v | 2.231 (3) |
C12—O3 | 1.410 (4) | N7—Ag1vi | 2.215 (3) |
C13—C14 | 1.375 (5) | N8—Ag2vi | 2.360 (3) |
C13—H13 | 0.95 | N9—O8 | 1.221 (5) |
C14—C15 | 1.385 (5) | N9—O7 | 1.222 (4) |
C14—H14 | 0.95 | N9—O9 | 1.259 (5) |
C15—N11 | 1.343 (5) | N10—O12 | 1.229 (5) |
C15—H15 | 0.95 | N10—O11 | 1.238 (4) |
C16—N4 | 1.340 (5) | N10—O10 | 1.245 (5) |
C16—C17 | 1.378 (6) | O1—P1 | 1.579 (3) |
C16—H16 | 0.95 | O2—P1 | 1.589 (3) |
C17—C18 | 1.395 (6) | O3—P3 | 1.580 (3) |
C17—H17 | 0.95 | O4—P3 | 1.588 (3) |
C18—C19 | 1.365 (6) | O5—P2 | 1.580 (3) |
C18—H18 | 0.95 | O6—P2 | 1.586 (2) |
C19—C20 | 1.375 (5) | O13—H1W | 0.852 (18) |
C19—O6 | 1.416 (5) | O13—H2W | 0.840 (18) |
N4i—Ag1—N7ii | 159.55 (12) | C24—C23—H23 | 121.7 |
N4i—Ag1—N1 | 98.49 (10) | C25—C24—C23 | 120.1 (4) |
N7ii—Ag1—N1 | 97.42 (11) | C25—C24—H24 | 120.0 |
N6iii—Ag2—N11 | 134.93 (12) | C23—C24—H24 | 120.0 |
N6iii—Ag2—N8ii | 137.48 (12) | N6—C25—C24 | 123.1 (4) |
N11—Ag2—N8ii | 87.09 (12) | N6—C25—H25 | 118.4 |
N8—C1—C2 | 121.8 (4) | C24—C25—H25 | 118.4 |
N8—C1—H1 | 119.1 | N5—C26—C27 | 121.1 (4) |
C2—C1—H1 | 119.1 | N5—C26—H26 | 119.5 |
C1—C2—C3 | 121.0 (4) | C27—C26—H26 | 119.5 |
C1—C2—O1 | 120.5 (3) | C28—C27—C26 | 120.2 (4) |
C3—C2—O1 | 118.5 (3) | C28—C27—O5 | 116.6 (4) |
C2—C3—C4 | 116.9 (4) | C26—C27—O5 | 123.2 (4) |
C2—C3—H3 | 121.5 | C29—C28—C27 | 118.6 (4) |
C4—C3—H3 | 121.5 | C29—C28—H28 | 120.7 |
C5—C4—C3 | 119.5 (4) | C27—C28—H28 | 120.7 |
C5—C4—H4 | 120.3 | C28—C29—C30 | 119.3 (4) |
C3—C4—H4 | 120.3 | C28—C29—H29 | 120.3 |
N8—C5—C4 | 122.9 (4) | C30—C29—H29 | 120.3 |
N8—C5—H5 | 118.5 | N5—C30—C29 | 122.7 (4) |
C4—C5—H5 | 118.5 | N5—C30—H30 | 118.7 |
N7—C6—C7 | 122.2 (3) | C29—C30—H30 | 118.7 |
N7—C6—H6 | 118.9 | P1—N1—P3 | 121.72 (18) |
C7—C6—H6 | 118.9 | P1—N1—Ag1 | 121.67 (15) |
C6—C7—C8 | 120.0 (4) | P3—N1—Ag1 | 116.23 (15) |
C6—C7—O2 | 115.6 (3) | P2—N2—P1 | 120.9 (2) |
C8—C7—O2 | 124.3 (3) | P3—N3—P2 | 121.4 (2) |
C9—C8—C7 | 117.7 (4) | C16—N4—C20 | 117.8 (3) |
C9—C8—H8 | 121.2 | C16—N4—Ag1iv | 122.5 (3) |
C7—C8—H8 | 121.2 | C20—N4—Ag1iv | 119.6 (3) |
C8—C9—C10 | 119.6 (4) | C30—N5—C26 | 118.1 (4) |
C8—C9—H9 | 120.2 | C21—N6—C25 | 117.5 (3) |
C10—C9—H9 | 120.2 | C21—N6—Ag2v | 121.7 (3) |
N7—C10—C9 | 122.3 (4) | C25—N6—Ag2v | 120.4 (3) |
N7—C10—H10 | 118.9 | C10—N7—C6 | 118.3 (3) |
C9—C10—H10 | 118.9 | C10—N7—Ag1vi | 121.7 (3) |
N11—C11—C12 | 120.9 (4) | C6—N7—Ag1vi | 120.0 (3) |
N11—C11—H11 | 119.5 | C1—N8—C5 | 117.9 (4) |
C12—C11—H11 | 119.5 | C1—N8—Ag2vi | 114.3 (3) |
C13—C12—C11 | 121.1 (3) | C5—N8—Ag2vi | 123.5 (3) |
C13—C12—O3 | 119.1 (3) | O8—N9—O7 | 121.5 (4) |
C11—C12—O3 | 119.8 (3) | O8—N9—O9 | 119.2 (4) |
C12—C13—C14 | 117.9 (3) | O7—N9—O9 | 119.3 (4) |
C12—C13—H13 | 121.0 | O12—N10—O11 | 121.5 (4) |
C14—C13—H13 | 121.0 | O12—N10—O10 | 118.0 (4) |
C13—C14—C15 | 119.4 (4) | O11—N10—O10 | 120.4 (3) |
C13—C14—H14 | 120.3 | C15—N11—C11 | 117.8 (3) |
C15—C14—H14 | 120.3 | C15—N11—Ag2 | 118.4 (2) |
N11—C15—C14 | 122.9 (3) | C11—N11—Ag2 | 123.7 (3) |
N11—C15—H15 | 118.6 | C2—O1—P1 | 123.3 (2) |
C14—C15—H15 | 118.6 | C7—O2—P1 | 123.7 (2) |
N4—C16—C17 | 123.1 (4) | C12—O3—P3 | 119.8 (2) |
N4—C16—H16 | 118.5 | C22—O4—P3 | 123.8 (2) |
C17—C16—H16 | 118.5 | C27—O5—P2 | 127.8 (3) |
C16—C17—C18 | 119.3 (4) | C19—O6—P2 | 119.5 (2) |
C16—C17—H17 | 120.4 | H1W—O13—H2W | 105 (3) |
C18—C17—H17 | 120.4 | O1—P1—N2 | 111.07 (15) |
C19—C18—C17 | 116.6 (4) | O1—P1—N1 | 106.72 (16) |
C19—C18—H18 | 121.7 | N2—P1—N1 | 118.03 (16) |
C17—C18—H18 | 121.7 | O1—P1—O2 | 99.71 (14) |
C18—C19—C20 | 121.8 (4) | N2—P1—O2 | 109.89 (16) |
C18—C19—O6 | 120.0 (4) | N1—P1—O2 | 109.84 (15) |
C20—C19—O6 | 118.1 (3) | N2—P2—O5 | 106.41 (16) |
N4—C20—C19 | 121.4 (3) | N2—P2—N3 | 117.32 (16) |
N4—C20—H20 | 119.3 | O5—P2—N3 | 112.36 (16) |
C19—C20—H20 | 119.3 | N2—P2—O6 | 110.31 (16) |
N6—C21—C22 | 121.6 (4) | O5—P2—O6 | 99.89 (14) |
N6—C21—H21 | 119.2 | N3—P2—O6 | 109.14 (15) |
C22—C21—H21 | 119.2 | N3—P3—O3 | 111.19 (16) |
C23—C22—C21 | 121.1 (3) | N3—P3—N1 | 117.09 (16) |
C23—C22—O4 | 122.7 (3) | O3—P3—N1 | 110.22 (15) |
C21—C22—O4 | 116.2 (3) | N3—P3—O4 | 111.44 (15) |
C22—C23—C24 | 116.6 (4) | O3—P3—O4 | 98.41 (14) |
C22—C23—H23 | 121.7 | N1—P3—O4 | 106.82 (16) |
N8—C1—C2—C3 | −0.7 (6) | C12—C11—N11—C15 | 1.0 (5) |
N8—C1—C2—O1 | −178.7 (3) | C12—C11—N11—Ag2 | 176.7 (3) |
C1—C2—C3—C4 | −0.9 (6) | N6iii—Ag2—N11—C15 | −128.5 (3) |
O1—C2—C3—C4 | 177.2 (3) | N8ii—Ag2—N11—C15 | 58.8 (3) |
C2—C3—C4—C5 | 2.0 (6) | N6iii—Ag2—N11—C11 | 55.8 (4) |
C3—C4—C5—N8 | −1.6 (7) | N8ii—Ag2—N11—C11 | −116.8 (3) |
N7—C6—C7—C8 | 0.7 (6) | C1—C2—O1—P1 | −66.1 (4) |
N7—C6—C7—O2 | 176.1 (3) | C3—C2—O1—P1 | 115.9 (3) |
C6—C7—C8—C9 | −1.7 (6) | C6—C7—O2—P1 | 139.0 (3) |
O2—C7—C8—C9 | −176.8 (4) | C8—C7—O2—P1 | −45.8 (5) |
C7—C8—C9—C10 | 1.2 (7) | C13—C12—O3—P3 | 111.4 (3) |
C8—C9—C10—N7 | 0.4 (7) | C11—C12—O3—P3 | −71.0 (4) |
N11—C11—C12—C13 | −1.2 (6) | C23—C22—O4—P3 | −54.2 (5) |
N11—C11—C12—O3 | −178.8 (3) | C21—C22—O4—P3 | 126.3 (3) |
C11—C12—C13—C14 | 0.1 (6) | C28—C27—O5—P2 | −151.4 (3) |
O3—C12—C13—C14 | 177.7 (3) | C26—C27—O5—P2 | 30.3 (6) |
C12—C13—C14—C15 | 1.0 (6) | C18—C19—O6—P2 | 94.5 (4) |
C13—C14—C15—N11 | −1.2 (6) | C20—C19—O6—P2 | −89.5 (4) |
N4—C16—C17—C18 | −0.2 (7) | C2—O1—P1—N2 | −30.7 (3) |
C16—C17—C18—C19 | −0.5 (7) | C2—O1—P1—N1 | −160.6 (3) |
C17—C18—C19—C20 | 0.5 (6) | C2—O1—P1—O2 | 85.1 (3) |
C17—C18—C19—O6 | 176.3 (4) | P2—N2—P1—O1 | −128.5 (2) |
C18—C19—C20—N4 | 0.2 (6) | P2—N2—P1—N1 | −4.9 (3) |
O6—C19—C20—N4 | −175.7 (3) | P2—N2—P1—O2 | 122.1 (2) |
N6—C21—C22—C23 | −0.5 (6) | P3—N1—P1—O1 | 117.5 (2) |
N6—C21—C22—O4 | 179.0 (3) | Ag1—N1—P1—O1 | −69.81 (19) |
C21—C22—C23—C24 | 0.5 (6) | P3—N1—P1—N2 | −8.3 (3) |
O4—C22—C23—C24 | −179.0 (3) | Ag1—N1—P1—N2 | 164.38 (16) |
C22—C23—C24—C25 | 0.6 (6) | P3—N1—P1—O2 | −135.3 (2) |
C23—C24—C25—N6 | −1.8 (7) | Ag1—N1—P1—O2 | 37.4 (2) |
N5—C26—C27—C28 | −2.1 (7) | C7—O2—P1—O1 | −175.9 (3) |
N5—C26—C27—O5 | 176.1 (4) | C7—O2—P1—N2 | −59.2 (3) |
C26—C27—C28—C29 | 1.4 (6) | C7—O2—P1—N1 | 72.2 (3) |
O5—C27—C28—C29 | −177.0 (4) | P1—N2—P2—O5 | −107.7 (2) |
C27—C28—C29—C30 | 0.2 (7) | P1—N2—P2—N3 | 19.0 (3) |
C28—C29—C30—N5 | −1.2 (7) | P1—N2—P2—O6 | 144.8 (2) |
N4i—Ag1—N1—P1 | −13.3 (2) | C27—O5—P2—N2 | 173.5 (3) |
N7ii—Ag1—N1—P1 | 153.80 (19) | C27—O5—P2—N3 | 43.9 (4) |
N4i—Ag1—N1—P3 | 159.75 (17) | C27—O5—P2—O6 | −71.7 (3) |
N7ii—Ag1—N1—P3 | −33.13 (19) | P3—N3—P2—N2 | −21.0 (3) |
C17—C16—N4—C20 | 0.9 (6) | P3—N3—P2—O5 | 102.8 (2) |
C17—C16—N4—Ag1iv | −174.3 (3) | P3—N3—P2—O6 | −147.4 (2) |
C19—C20—N4—C16 | −0.9 (5) | C19—O6—P2—N2 | −74.4 (3) |
C19—C20—N4—Ag1iv | 174.4 (3) | C19—O6—P2—O5 | 173.9 (3) |
C29—C30—N5—C26 | 0.6 (7) | C19—O6—P2—N3 | 55.9 (3) |
C27—C26—N5—C30 | 1.1 (7) | P2—N3—P3—O3 | 136.4 (2) |
C22—C21—N6—C25 | −0.6 (5) | P2—N3—P3—N1 | 8.5 (3) |
C22—C21—N6—Ag2v | 173.4 (3) | P2—N3—P3—O4 | −114.9 (2) |
C24—C25—N6—C21 | 1.7 (6) | C12—O3—P3—N3 | −64.6 (3) |
C24—C25—N6—Ag2v | −172.3 (3) | C12—O3—P3—N1 | 66.9 (3) |
C9—C10—N7—C6 | −1.5 (6) | C12—O3—P3—O4 | 178.4 (2) |
C9—C10—N7—Ag1vi | 179.2 (3) | P1—N1—P3—N3 | 6.5 (3) |
C7—C6—N7—C10 | 1.0 (5) | Ag1—N1—P3—N3 | −166.57 (15) |
C7—C6—N7—Ag1vi | −179.7 (3) | P1—N1—P3—O3 | −121.9 (2) |
C2—C1—N8—C5 | 1.1 (6) | Ag1—N1—P3—O3 | 65.04 (18) |
C2—C1—N8—Ag2vi | −156.5 (3) | P1—N1—P3—O4 | 132.2 (2) |
C4—C5—N8—C1 | 0.0 (6) | Ag1—N1—P3—O4 | −40.9 (2) |
C4—C5—N8—Ag2vi | 155.5 (3) | C22—O4—P3—N3 | −9.7 (3) |
C14—C15—N11—C11 | 0.2 (6) | C22—O4—P3—O3 | 107.1 (3) |
C14—C15—N11—Ag2 | −175.8 (3) | C22—O4—P3—N1 | −138.7 (3) |
Symmetry codes: (i) x, y, z−1; (ii) x−1, y, z; (iii) −x+1, y−1/2, −z+1; (iv) x, y, z+1; (v) −x+1, y+1/2, −z+1; (vi) x+1, y, z. |
D—H···A | D—H | H···A | D···A | D—H···A |
O13—H1W···O11iii | 0.85 (2) | 2.01 (2) | 2.842 (4) | 163 (4) |
O13—H2W···N5vii | 0.84 (2) | 2.14 (2) | 2.972 (5) | 174 (4) |
Symmetry codes: (iii) −x+1, y−1/2, −z+1; (vii) −x+1, y−1/2, −z+2. |
C30H24AgN9O6P3·CF3SO3 | Dx = 1.822 Mg m−3 |
Mr = 956.43 | Mo Kα radiation, λ = 0.71073 Å |
Trigonal, R3 | Cell parameters from 126 reflections |
a = 12.5705 (11) Å | θ = 2.0–24.7° |
c = 38.213 (6) Å | µ = 0.86 mm−1 |
V = 5229.3 (12) Å3 | T = 150 K |
Z = 6 | Plate, colourless |
F(000) = 2880 | 0.23 × 0.19 × 0.07 mm |
Bruker APEX II QUAZAR three-circle diffractometer | 2067 independent reflections |
Multilayer QUAZAR mirrors monochromator | 1901 reflections with I > 2σ(I) |
Detector resolution: 8.3333 pixels mm-1 | Rint = 0.060 |
φ and ω scans | θmax = 25.1°, θmin = 1.6° |
Absorption correction: multi-scan SADABS (Bruker AXS) | h = −14→14 |
Tmin = 0.82, Tmax = 0.94 | k = −14→14 |
22685 measured reflections | l = −45→45 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.025 | H-atom parameters constrained |
wR(F2) = 0.068 | w = 1/[σ2(Fo2) + (0.0281P)2 + 12.4135P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max < 0.001 |
2067 reflections | Δρmax = 0.30 e Å−3 |
149 parameters | Δρmin = −0.29 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.3333 | 0.6667 | 0.1667 | 0.03389 (13) | |
Ag2 | 0 | 0 | 0 | 0.03704 (13) | |
P1 | 0.19676 (5) | 0.55597 (5) | 0.01204 (2) | 0.02602 (14) | |
O2 | 0.08475 (13) | 0.46469 (13) | 0.03560 (4) | 0.0298 (3) | |
O1 | 0.13571 (14) | 0.51171 (13) | −0.02530 (4) | 0.0311 (3) | |
N1 | 0.22408 (16) | 0.69205 (16) | 0.01723 (5) | 0.0287 (4) | |
N2 | 0.02707 (17) | 0.18288 (17) | −0.03716 (5) | 0.0356 (4) | |
N3 | 0.15963 (18) | 0.51644 (18) | 0.12871 (5) | 0.0368 (4) | |
C4 | 0.08824 (18) | 0.44391 (19) | 0.07127 (5) | 0.0281 (4) | |
C9 | 0.09255 (19) | 0.3960 (2) | −0.04012 (5) | 0.0292 (4) | |
C10 | 0.0729 (2) | 0.2932 (2) | −0.02177 (6) | 0.0325 (5) | |
H10 | 0.0923 | 0.3007 | 0.0025 | 0.039* | |
C3 | 0.0171 (2) | 0.3259 (2) | 0.08304 (6) | 0.0412 (6) | |
H3 | −0.032 | 0.2608 | 0.0674 | 0.049* | |
C1 | 0.0925 (2) | 0.4010 (2) | 0.13997 (6) | 0.0398 (5) | |
H1 | 0.0956 | 0.3848 | 0.1641 | 0.048* | |
C6 | 0.0011 (2) | 0.1753 (2) | −0.07130 (7) | 0.0415 (6) | |
H6 | −0.0329 | 0.0973 | −0.0823 | 0.05* | |
C5 | 0.1555 (2) | 0.5370 (2) | 0.09458 (6) | 0.0329 (5) | |
H5 | 0.2006 | 0.6189 | 0.0861 | 0.039* | |
C2 | 0.0192 (2) | 0.3046 (2) | 0.11840 (6) | 0.0455 (6) | |
H2 | −0.0295 | 0.2242 | 0.1277 | 0.055* | |
C7 | 0.0210 (3) | 0.2744 (3) | −0.09122 (7) | 0.0474 (6) | |
H7 | 0.0025 | 0.2649 | −0.1155 | 0.057* | |
C8 | 0.0682 (2) | 0.3882 (2) | −0.07552 (6) | 0.0397 (6) | |
H8 | 0.0834 | 0.4586 | −0.0886 | 0.048* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.03709 (16) | 0.03709 (16) | 0.0275 (2) | 0.01855 (8) | 0 | 0 |
Ag2 | 0.03337 (16) | 0.03337 (16) | 0.0444 (3) | 0.01668 (8) | 0 | 0 |
P1 | 0.0242 (3) | 0.0250 (3) | 0.0276 (3) | 0.0114 (2) | −0.0004 (2) | −0.0007 (2) |
O2 | 0.0253 (7) | 0.0304 (8) | 0.0295 (8) | 0.0106 (6) | −0.0005 (6) | 0.0001 (6) |
O1 | 0.0349 (8) | 0.0296 (8) | 0.0291 (8) | 0.0163 (7) | −0.0049 (6) | −0.0018 (6) |
N1 | 0.0260 (9) | 0.0291 (9) | 0.0318 (9) | 0.0143 (8) | 0.0005 (7) | 0.0000 (7) |
N2 | 0.0325 (10) | 0.0319 (10) | 0.0403 (11) | 0.0144 (8) | 0.0006 (8) | −0.0065 (8) |
N3 | 0.0358 (10) | 0.0368 (11) | 0.0328 (10) | 0.0145 (9) | 0.0010 (8) | −0.0015 (8) |
C4 | 0.0237 (10) | 0.0309 (11) | 0.0302 (11) | 0.0139 (9) | 0.0028 (8) | 0.0004 (9) |
C9 | 0.0254 (10) | 0.0314 (11) | 0.0309 (11) | 0.0143 (9) | −0.0024 (9) | −0.0043 (9) |
C10 | 0.0320 (11) | 0.0343 (12) | 0.0302 (11) | 0.0158 (10) | −0.0003 (9) | −0.0031 (9) |
C3 | 0.0395 (13) | 0.0308 (12) | 0.0399 (13) | 0.0076 (10) | 0.0005 (10) | −0.0015 (10) |
C1 | 0.0370 (13) | 0.0445 (14) | 0.0332 (12) | 0.0167 (11) | 0.0038 (10) | 0.0051 (10) |
C6 | 0.0381 (13) | 0.0424 (14) | 0.0475 (14) | 0.0229 (11) | −0.0120 (11) | −0.0178 (11) |
C5 | 0.0323 (12) | 0.0300 (11) | 0.0328 (12) | 0.0128 (10) | 0.0025 (9) | 0.0009 (9) |
C2 | 0.0473 (15) | 0.0350 (13) | 0.0395 (13) | 0.0095 (11) | 0.0039 (11) | 0.0073 (11) |
C7 | 0.0596 (17) | 0.0602 (17) | 0.0372 (13) | 0.0410 (14) | −0.0201 (12) | −0.0172 (12) |
C8 | 0.0499 (14) | 0.0471 (14) | 0.0332 (12) | 0.0327 (12) | −0.0090 (11) | −0.0048 (10) |
Ag1—N3 | 2.5128 (19) | O2—C4 | 1.393 (3) |
Ag1—N3i | 2.5129 (19) | O1—C9 | 1.393 (3) |
Ag1—N3ii | 2.5129 (19) | N1—P1i | 1.5824 (18) |
Ag1—N3iii | 2.5129 (19) | N2—C6 | 1.337 (3) |
Ag1—N3iv | 2.5129 (19) | N2—C10 | 1.343 (3) |
Ag1—N3v | 2.5129 (19) | N3—C1 | 1.333 (3) |
Ag2—N2vi | 2.576 (2) | N3—C5 | 1.335 (3) |
Ag2—N2vii | 2.576 (2) | C4—C3 | 1.370 (3) |
Ag2—N2viii | 2.576 (2) | C4—C5 | 1.374 (3) |
Ag2—N2ix | 2.576 (2) | C9—C8 | 1.379 (3) |
Ag2—N2x | 2.576 (2) | C9—C10 | 1.380 (3) |
Ag2—N2 | 2.576 (2) | C3—C2 | 1.380 (3) |
P1—O2 | 1.5792 (15) | C1—C2 | 1.371 (4) |
P1—N1 | 1.5797 (18) | C6—C7 | 1.372 (4) |
P1—N1ii | 1.5824 (18) | C7—C8 | 1.382 (3) |
P1—O1 | 1.5836 (15) | ||
N3—Ag1—N3i | 90.01 (6) | O2—P1—N1 | 110.33 (9) |
N3—Ag1—N3ii | 90.01 (6) | O2—P1—N1ii | 109.99 (9) |
N3i—Ag1—N3ii | 90.01 (6) | N1—P1—N1ii | 117.11 (12) |
N3—Ag1—N3iii | 89.99 (6) | O2—P1—O1 | 99.14 (8) |
N3i—Ag1—N3iii | 89.99 (6) | N1—P1—O1 | 107.35 (9) |
N3ii—Ag1—N3iii | 180.0 | N1ii—P1—O1 | 111.40 (9) |
N3—Ag1—N3iv | 180.0 | C4—O2—P1 | 126.43 (13) |
N3i—Ag1—N3iv | 89.99 (6) | C9—O1—P1 | 126.91 (13) |
N3ii—Ag1—N3iv | 89.99 (6) | P1—N1—P1i | 119.80 (11) |
N3iii—Ag1—N3iv | 90.01 (6) | C6—N2—C10 | 117.7 (2) |
N3—Ag1—N3v | 89.99 (6) | C6—N2—Ag2 | 123.79 (15) |
N3i—Ag1—N3v | 180.0 | C10—N2—Ag2 | 118.54 (15) |
N3ii—Ag1—N3v | 89.99 (6) | C1—N3—C5 | 117.5 (2) |
N3iii—Ag1—N3v | 90.01 (6) | C1—N3—Ag1 | 118.09 (15) |
N3iv—Ag1—N3v | 90.01 (6) | C5—N3—Ag1 | 121.44 (15) |
N2vi—Ag2—N2vii | 92.54 (6) | C3—C4—C5 | 120.0 (2) |
N2vi—Ag2—N2viii | 87.46 (6) | C3—C4—O2 | 117.36 (19) |
N2vii—Ag2—N2viii | 180.00 (11) | C5—C4—O2 | 122.57 (19) |
N2vi—Ag2—N2ix | 92.53 (6) | C8—C9—C10 | 120.1 (2) |
N2vii—Ag2—N2ix | 92.53 (6) | C8—C9—O1 | 115.47 (19) |
N2viii—Ag2—N2ix | 87.47 (6) | C10—C9—O1 | 124.40 (19) |
N2vi—Ag2—N2x | 87.47 (6) | N2—C10—C9 | 121.9 (2) |
N2vii—Ag2—N2x | 87.47 (6) | C4—C3—C2 | 117.8 (2) |
N2viii—Ag2—N2x | 92.53 (6) | N3—C1—C2 | 123.2 (2) |
N2ix—Ag2—N2x | 180.00 (9) | N2—C6—C7 | 123.4 (2) |
N2vi—Ag2—N2 | 180.0 | N3—C5—C4 | 122.3 (2) |
N2vii—Ag2—N2 | 87.47 (6) | C1—C2—C3 | 119.1 (2) |
N2viii—Ag2—N2 | 92.53 (6) | C6—C7—C8 | 119.2 (2) |
N2ix—Ag2—N2 | 87.47 (6) | C9—C8—C7 | 117.7 (2) |
N2x—Ag2—N2 | 92.53 (6) | ||
N1—P1—O2—C4 | −79.60 (18) | C5—C4—C3—C2 | −2.1 (4) |
N1ii—P1—O2—C4 | 51.09 (18) | O2—C4—C3—C2 | −179.5 (2) |
O1—P1—O2—C4 | 167.95 (16) | C5—N3—C1—C2 | −1.0 (4) |
O2—P1—O1—C9 | −62.66 (18) | Ag1—N3—C1—C2 | −161.6 (2) |
N1—P1—O1—C9 | −177.43 (16) | C10—N2—C6—C7 | 1.2 (4) |
N1ii—P1—O1—C9 | 53.13 (19) | Ag2—N2—C6—C7 | −176.96 (19) |
O2—P1—N1—P1i | 151.32 (11) | C1—N3—C5—C4 | −1.9 (3) |
N1ii—P1—N1—P1i | 24.5 (2) | Ag1—N3—C5—C4 | 158.02 (16) |
O1—P1—N1—P1i | −101.62 (13) | C3—C4—C5—N3 | 3.5 (3) |
P1—O2—C4—C3 | −142.00 (18) | O2—C4—C5—N3 | −179.22 (19) |
P1—O2—C4—C5 | 40.7 (3) | N3—C1—C2—C3 | 2.3 (4) |
P1—O1—C9—C8 | −166.40 (16) | C4—C3—C2—C1 | −0.7 (4) |
P1—O1—C9—C10 | 14.2 (3) | N2—C6—C7—C8 | −1.2 (4) |
C6—N2—C10—C9 | 0.3 (3) | C10—C9—C8—C7 | 1.8 (3) |
Ag2—N2—C10—C9 | 178.57 (16) | O1—C9—C8—C7 | −177.7 (2) |
C8—C9—C10—N2 | −1.8 (3) | C6—C7—C8—C9 | −0.3 (4) |
O1—C9—C10—N2 | 177.64 (19) |
Symmetry codes: (i) −x+y, −x+1, z; (ii) −y+1, x−y+1, z; (iii) y−1/3, −x+y+1/3, −z+1/3; (iv) −x+2/3, −y+4/3, −z+1/3; (v) x−y+2/3, x+1/3, −z+1/3; (vi) −x, −y, −z; (vii) y, −x+y, −z; (viii) −y, x−y, z; (ix) x−y, x, −z; (x) −x+y, −x, z. |