Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806055140/wm2075sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806055140/wm2075Isup2.hkl |
CCDC reference: 637282
Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Ag(C12H8N2)(C18H15P)]ClO4·0.5C2H3N | F(000) = 2712 |
Mr = 670.32 | Dx = 1.588 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 6230 reflections |
a = 16.6708 (12) Å | θ = 2.6–32.2° |
b = 22.9245 (17) Å | µ = 0.91 mm−1 |
c = 14.7068 (13) Å | T = 180 K |
β = 94.063 (6)° | Lath, colorless |
V = 5606.4 (8) Å3 | 0.49 × 0.19 × 0.09 mm |
Z = 8 |
Oxford Diffraction Xcalibur diffractometer | 13918 independent reflections |
Radiation source: fine-focus sealed tube | 6516 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.061 |
Detector resolution: 8.2632 pixels mm-1 | θmax = 28.3°, θmin = 2.5° |
ω and φ scans | h = −22→22 |
Absorption correction: multi-scan (Blessing, 1995) | k = −27→30 |
Tmin = 0.798, Tmax = 0.943 | l = −19→18 |
50182 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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.131 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0622P)2] where P = (Fo2 + 2Fc2)/3 |
13918 reflections | (Δ/σ)max = 0.005 |
691 parameters | Δρmax = 0.79 e Å−3 |
0 restraints | Δρmin = −1.18 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.296318 (19) | 0.390574 (16) | 0.66223 (2) | 0.03907 (11) | |
P1 | 0.15703 (6) | 0.39742 (5) | 0.66687 (7) | 0.0280 (3) | |
N11 | 0.40999 (19) | 0.34109 (15) | 0.7063 (2) | 0.0301 (8) | |
N12 | 0.4021 (2) | 0.45575 (15) | 0.6475 (2) | 0.0320 (8) | |
C1 | 0.4790 (2) | 0.36862 (18) | 0.6870 (3) | 0.0267 (9) | |
C2 | 0.4750 (2) | 0.42836 (19) | 0.6573 (3) | 0.0294 (10) | |
C11 | 0.4148 (2) | 0.2864 (2) | 0.7387 (3) | 0.0349 (11) | |
H11 | 0.3666 | 0.2669 | 0.7517 | 0.042* | |
C12 | 0.4876 (3) | 0.25725 (19) | 0.7540 (3) | 0.0409 (12) | |
H12 | 0.4890 | 0.2190 | 0.7789 | 0.049* | |
C13 | 0.5573 (3) | 0.2842 (2) | 0.7329 (3) | 0.0409 (12) | |
H13 | 0.6072 | 0.2641 | 0.7412 | 0.049* | |
C14 | 0.5548 (2) | 0.34059 (19) | 0.6995 (3) | 0.0314 (10) | |
C15 | 0.6244 (3) | 0.3703 (2) | 0.6761 (3) | 0.0427 (12) | |
H15 | 0.6745 | 0.3505 | 0.6804 | 0.051* | |
C16 | 0.6216 (3) | 0.4270 (2) | 0.6473 (3) | 0.0453 (13) | |
H16 | 0.6696 | 0.4465 | 0.6337 | 0.054* | |
C17 | 0.5471 (3) | 0.4568 (2) | 0.6379 (3) | 0.0365 (11) | |
C18 | 0.5404 (3) | 0.5162 (2) | 0.6113 (3) | 0.0426 (12) | |
H18 | 0.5873 | 0.5375 | 0.5991 | 0.051* | |
C19 | 0.4670 (3) | 0.5428 (2) | 0.6031 (3) | 0.0461 (13) | |
H19 | 0.4622 | 0.5826 | 0.5854 | 0.055* | |
C20 | 0.3998 (3) | 0.5108 (2) | 0.6211 (3) | 0.0417 (12) | |
H20 | 0.3489 | 0.5295 | 0.6141 | 0.050* | |
C111 | 0.1212 (2) | 0.37631 (18) | 0.7759 (3) | 0.0292 (10) | |
C112 | 0.1680 (3) | 0.33881 (19) | 0.8311 (3) | 0.0388 (11) | |
H112 | 0.2176 | 0.3248 | 0.8114 | 0.047* | |
C113 | 0.1433 (3) | 0.3218 (2) | 0.9140 (3) | 0.0511 (14) | |
H113 | 0.1755 | 0.2960 | 0.9517 | 0.061* | |
C114 | 0.0709 (4) | 0.3423 (2) | 0.9424 (3) | 0.0533 (15) | |
H114 | 0.0536 | 0.3307 | 0.9999 | 0.064* | |
C115 | 0.0242 (3) | 0.3796 (2) | 0.8879 (3) | 0.0483 (14) | |
H115 | −0.0255 | 0.3935 | 0.9073 | 0.058* | |
C116 | 0.0501 (3) | 0.3966 (2) | 0.8042 (3) | 0.0393 (11) | |
H116 | 0.0182 | 0.4225 | 0.7665 | 0.047* | |
C121 | 0.1220 (2) | 0.47215 (18) | 0.6572 (3) | 0.0283 (10) | |
C122 | 0.1728 (3) | 0.51529 (17) | 0.6932 (3) | 0.0282 (10) | |
H122 | 0.2260 | 0.5054 | 0.7152 | 0.034* | |
C123 | 0.1475 (3) | 0.5725 (2) | 0.6975 (3) | 0.0376 (11) | |
H123 | 0.1826 | 0.6017 | 0.7235 | 0.045* | |
C124 | 0.0702 (3) | 0.5871 (2) | 0.6634 (3) | 0.0405 (12) | |
H124 | 0.0521 | 0.6263 | 0.6676 | 0.049* | |
C125 | 0.0200 (3) | 0.5458 (2) | 0.6237 (3) | 0.0380 (11) | |
H125 | −0.0320 | 0.5564 | 0.5987 | 0.046* | |
C126 | 0.0451 (2) | 0.48817 (19) | 0.6202 (3) | 0.0331 (10) | |
H126 | 0.0102 | 0.4595 | 0.5926 | 0.040* | |
C131 | 0.0964 (3) | 0.35537 (18) | 0.5819 (3) | 0.0312 (10) | |
C132 | 0.0231 (3) | 0.33155 (19) | 0.5980 (3) | 0.0391 (11) | |
H132 | 0.0015 | 0.3368 | 0.6555 | 0.047* | |
C133 | −0.0195 (3) | 0.2998 (2) | 0.5298 (4) | 0.0559 (15) | |
H133 | −0.0705 | 0.2838 | 0.5405 | 0.067* | |
C134 | 0.0123 (4) | 0.2916 (2) | 0.4476 (4) | 0.0603 (16) | |
H134 | −0.0169 | 0.2700 | 0.4011 | 0.072* | |
C135 | 0.0862 (4) | 0.3144 (2) | 0.4317 (3) | 0.0532 (15) | |
H135 | 0.1077 | 0.3086 | 0.3742 | 0.064* | |
C136 | 0.1295 (3) | 0.34585 (19) | 0.4984 (3) | 0.0409 (12) | |
H136 | 0.1811 | 0.3608 | 0.4878 | 0.049* | |
Ag2 | 0.626182 (19) | 0.502897 (16) | 0.85031 (2) | 0.03757 (11) | |
P2 | 0.76434 (6) | 0.51658 (5) | 0.83445 (7) | 0.0267 (3) | |
N21 | 0.50283 (19) | 0.54628 (15) | 0.8461 (2) | 0.0328 (9) | |
N22 | 0.5377 (2) | 0.43461 (15) | 0.9012 (2) | 0.0335 (9) | |
C3 | 0.4418 (2) | 0.5119 (2) | 0.8724 (3) | 0.0336 (11) | |
C4 | 0.4595 (3) | 0.45293 (19) | 0.9009 (3) | 0.0311 (10) | |
C21 | 0.4855 (3) | 0.6004 (2) | 0.8203 (3) | 0.0463 (13) | |
H21 | 0.5276 | 0.6243 | 0.8007 | 0.056* | |
C22 | 0.4086 (3) | 0.6242 (2) | 0.8206 (3) | 0.0480 (13) | |
H22 | 0.3990 | 0.6634 | 0.8023 | 0.058* | |
C23 | 0.3483 (3) | 0.5910 (2) | 0.8470 (3) | 0.0460 (13) | |
H23 | 0.2957 | 0.6070 | 0.8476 | 0.055* | |
C24 | 0.3621 (2) | 0.5331 (2) | 0.8737 (3) | 0.0340 (11) | |
C25 | 0.3009 (3) | 0.4950 (2) | 0.9009 (3) | 0.0444 (13) | |
H25 | 0.2474 | 0.5092 | 0.9021 | 0.053* | |
C26 | 0.3169 (3) | 0.4397 (2) | 0.9249 (3) | 0.0474 (13) | |
H26 | 0.2743 | 0.4153 | 0.9414 | 0.057* | |
C27 | 0.3970 (3) | 0.4165 (2) | 0.9263 (3) | 0.0391 (12) | |
C28 | 0.4172 (3) | 0.3593 (2) | 0.9506 (3) | 0.0481 (13) | |
H28 | 0.3765 | 0.3331 | 0.9669 | 0.058* | |
C29 | 0.4952 (4) | 0.3408 (2) | 0.9511 (3) | 0.0528 (14) | |
H29 | 0.5094 | 0.3020 | 0.9684 | 0.063* | |
C30 | 0.5534 (3) | 0.3802 (2) | 0.9256 (3) | 0.0458 (13) | |
H30 | 0.6075 | 0.3670 | 0.9259 | 0.055* | |
C211 | 0.7969 (2) | 0.49284 (17) | 0.7256 (3) | 0.0243 (9) | |
C212 | 0.7797 (2) | 0.52923 (19) | 0.6507 (3) | 0.0302 (10) | |
H212 | 0.7585 | 0.5672 | 0.6590 | 0.036* | |
C213 | 0.7936 (3) | 0.5097 (2) | 0.5641 (3) | 0.0369 (11) | |
H213 | 0.7816 | 0.5343 | 0.5129 | 0.044* | |
C214 | 0.8246 (2) | 0.4550 (2) | 0.5516 (3) | 0.0362 (11) | |
H214 | 0.8341 | 0.4421 | 0.4919 | 0.043* | |
C215 | 0.8419 (2) | 0.4188 (2) | 0.6249 (3) | 0.0374 (11) | |
H215 | 0.8630 | 0.3809 | 0.6159 | 0.045* | |
C216 | 0.8283 (2) | 0.43779 (18) | 0.7116 (3) | 0.0290 (10) | |
H216 | 0.8407 | 0.4129 | 0.7623 | 0.035* | |
C221 | 0.8205 (2) | 0.47497 (18) | 0.9228 (3) | 0.0273 (9) | |
C222 | 0.7970 (2) | 0.41727 (19) | 0.9364 (3) | 0.0333 (10) | |
H222 | 0.7558 | 0.4002 | 0.8971 | 0.040* | |
C223 | 0.8334 (3) | 0.3853 (2) | 1.0063 (3) | 0.0400 (11) | |
H223 | 0.8189 | 0.3455 | 1.0131 | 0.048* | |
C224 | 0.8904 (3) | 0.4096 (2) | 1.0668 (3) | 0.0409 (12) | |
H224 | 0.9140 | 0.3871 | 1.1159 | 0.049* | |
C225 | 0.9130 (3) | 0.4666 (2) | 1.0558 (3) | 0.0391 (11) | |
H225 | 0.9519 | 0.4837 | 1.0979 | 0.047* | |
C226 | 0.8790 (2) | 0.49949 (19) | 0.9829 (3) | 0.0314 (10) | |
H226 | 0.8959 | 0.5386 | 0.9745 | 0.038* | |
C231 | 0.7996 (3) | 0.59121 (18) | 0.8405 (3) | 0.0329 (10) | |
C232 | 0.8770 (3) | 0.6064 (2) | 0.8175 (3) | 0.0404 (11) | |
H232 | 0.9136 | 0.5766 | 0.8029 | 0.048* | |
C233 | 0.9010 (4) | 0.6642 (2) | 0.8159 (3) | 0.0624 (10) | |
H233 | 0.9539 | 0.6739 | 0.8011 | 0.075* | |
C234 | 0.8487 (4) | 0.7071 (2) | 0.8354 (3) | 0.0624 (10) | |
H234 | 0.8653 | 0.7467 | 0.8325 | 0.075* | |
C235 | 0.7730 (4) | 0.6947 (2) | 0.8591 (4) | 0.0624 (10) | |
H235 | 0.7378 | 0.7253 | 0.8739 | 0.075* | |
C236 | 0.7473 (3) | 0.6364 (2) | 0.8613 (3) | 0.0477 (13) | |
H236 | 0.6944 | 0.6275 | 0.8771 | 0.057* | |
Cl1 | 0.36517 (8) | 0.32393 (5) | 0.43762 (9) | 0.0478 (3) | |
O11 | 0.3348 (2) | 0.37324 (14) | 0.4850 (2) | 0.0554 (10) | |
O12 | 0.3196 (4) | 0.2759 (2) | 0.4467 (6) | 0.187 (4) | |
O13 | 0.3683 (4) | 0.3398 (2) | 0.3459 (3) | 0.130 (2) | |
O14 | 0.4464 (3) | 0.3133 (2) | 0.4656 (4) | 0.129 (2) | |
Cl2 | 0.82101 (9) | 0.24403 (7) | 0.72982 (12) | 0.0660 (4) | |
O21 | 0.8906 (3) | 0.2144 (2) | 0.7191 (4) | 0.127 (2) | |
O22 | 0.7547 (3) | 0.2069 (2) | 0.7289 (4) | 0.1169 (18) | |
O23 | 0.8215 (6) | 0.2777 (5) | 0.7991 (8) | 0.296 (7) | |
O24 | 0.8076 (4) | 0.2803 (4) | 0.6558 (8) | 0.257 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.02404 (18) | 0.0419 (2) | 0.0518 (2) | 0.00519 (15) | 0.00614 (15) | 0.00445 (18) |
P1 | 0.0236 (5) | 0.0312 (7) | 0.0296 (6) | 0.0048 (5) | 0.0049 (5) | 0.0036 (5) |
N11 | 0.0285 (19) | 0.029 (2) | 0.034 (2) | −0.0026 (15) | 0.0045 (15) | 0.0003 (16) |
N12 | 0.033 (2) | 0.028 (2) | 0.035 (2) | −0.0050 (16) | 0.0009 (16) | −0.0021 (17) |
C1 | 0.020 (2) | 0.032 (2) | 0.027 (2) | 0.0018 (18) | −0.0012 (17) | −0.0020 (19) |
C2 | 0.025 (2) | 0.035 (3) | 0.028 (2) | 0.0029 (19) | 0.0015 (18) | −0.004 (2) |
C11 | 0.028 (2) | 0.035 (3) | 0.041 (3) | −0.001 (2) | 0.002 (2) | −0.001 (2) |
C12 | 0.046 (3) | 0.024 (3) | 0.052 (3) | 0.006 (2) | 0.002 (2) | 0.003 (2) |
C13 | 0.034 (3) | 0.035 (3) | 0.054 (3) | 0.004 (2) | 0.002 (2) | −0.005 (2) |
C14 | 0.021 (2) | 0.035 (3) | 0.037 (3) | 0.0027 (19) | −0.0020 (18) | −0.003 (2) |
C15 | 0.023 (2) | 0.053 (3) | 0.052 (3) | −0.002 (2) | −0.002 (2) | −0.004 (3) |
C16 | 0.023 (2) | 0.052 (3) | 0.061 (3) | −0.011 (2) | 0.005 (2) | 0.000 (3) |
C17 | 0.035 (3) | 0.040 (3) | 0.035 (3) | −0.010 (2) | 0.005 (2) | 0.000 (2) |
C18 | 0.053 (3) | 0.044 (3) | 0.031 (3) | −0.021 (2) | 0.006 (2) | −0.008 (2) |
C19 | 0.068 (4) | 0.020 (3) | 0.051 (3) | −0.007 (2) | 0.008 (3) | 0.006 (2) |
C20 | 0.050 (3) | 0.034 (3) | 0.041 (3) | 0.005 (2) | 0.004 (2) | 0.007 (2) |
C111 | 0.030 (2) | 0.029 (3) | 0.028 (2) | −0.0030 (19) | −0.0049 (18) | 0.0030 (18) |
C112 | 0.049 (3) | 0.028 (3) | 0.039 (3) | −0.014 (2) | −0.003 (2) | 0.001 (2) |
C113 | 0.085 (4) | 0.031 (3) | 0.034 (3) | −0.019 (3) | −0.014 (3) | 0.007 (2) |
C114 | 0.099 (5) | 0.034 (3) | 0.030 (3) | −0.029 (3) | 0.023 (3) | −0.003 (2) |
C115 | 0.073 (4) | 0.036 (3) | 0.041 (3) | −0.010 (3) | 0.031 (3) | −0.002 (2) |
C116 | 0.042 (3) | 0.037 (3) | 0.039 (3) | 0.001 (2) | 0.007 (2) | 0.002 (2) |
C121 | 0.026 (2) | 0.033 (3) | 0.026 (2) | 0.0027 (19) | 0.0081 (18) | 0.0002 (19) |
C122 | 0.034 (2) | 0.024 (2) | 0.027 (2) | 0.0008 (19) | 0.0081 (18) | −0.0013 (18) |
C123 | 0.038 (3) | 0.038 (3) | 0.037 (3) | −0.006 (2) | −0.005 (2) | −0.006 (2) |
C124 | 0.050 (3) | 0.032 (3) | 0.039 (3) | 0.010 (2) | 0.001 (2) | −0.002 (2) |
C125 | 0.033 (3) | 0.036 (3) | 0.045 (3) | 0.009 (2) | 0.000 (2) | 0.011 (2) |
C126 | 0.026 (2) | 0.036 (3) | 0.037 (3) | −0.0029 (19) | 0.0016 (19) | 0.003 (2) |
C131 | 0.033 (2) | 0.023 (2) | 0.036 (3) | 0.0085 (19) | −0.0009 (19) | 0.0003 (19) |
C132 | 0.033 (3) | 0.033 (3) | 0.051 (3) | 0.007 (2) | 0.000 (2) | −0.006 (2) |
C133 | 0.030 (3) | 0.043 (3) | 0.092 (5) | 0.007 (2) | −0.013 (3) | 0.000 (3) |
C134 | 0.085 (4) | 0.031 (3) | 0.060 (4) | 0.014 (3) | −0.028 (3) | −0.006 (3) |
C135 | 0.101 (5) | 0.023 (3) | 0.035 (3) | 0.021 (3) | −0.001 (3) | −0.001 (2) |
C136 | 0.064 (3) | 0.024 (3) | 0.036 (3) | 0.011 (2) | 0.011 (2) | 0.004 (2) |
Ag2 | 0.02512 (18) | 0.0454 (2) | 0.0429 (2) | 0.00155 (16) | 0.00761 (14) | 0.00088 (17) |
P2 | 0.0236 (5) | 0.0264 (6) | 0.0305 (6) | −0.0013 (4) | 0.0040 (5) | −0.0002 (5) |
N21 | 0.0257 (19) | 0.029 (2) | 0.044 (2) | 0.0014 (16) | 0.0027 (16) | 0.0023 (18) |
N22 | 0.039 (2) | 0.027 (2) | 0.036 (2) | −0.0013 (17) | 0.0093 (17) | 0.0003 (17) |
C3 | 0.025 (2) | 0.055 (3) | 0.022 (2) | 0.005 (2) | 0.0015 (17) | −0.010 (2) |
C4 | 0.034 (2) | 0.036 (3) | 0.024 (2) | −0.006 (2) | 0.0039 (18) | −0.0092 (19) |
C21 | 0.036 (3) | 0.045 (3) | 0.058 (3) | 0.003 (2) | 0.008 (2) | 0.019 (3) |
C22 | 0.043 (3) | 0.042 (3) | 0.060 (3) | 0.013 (2) | 0.003 (3) | 0.013 (3) |
C23 | 0.034 (3) | 0.064 (4) | 0.040 (3) | 0.009 (3) | 0.006 (2) | −0.004 (3) |
C24 | 0.029 (2) | 0.047 (3) | 0.027 (2) | −0.004 (2) | 0.0066 (19) | −0.006 (2) |
C25 | 0.029 (2) | 0.073 (4) | 0.032 (3) | −0.003 (3) | 0.0067 (19) | −0.012 (3) |
C26 | 0.033 (3) | 0.067 (4) | 0.043 (3) | −0.021 (3) | 0.010 (2) | −0.009 (3) |
C27 | 0.047 (3) | 0.049 (3) | 0.023 (2) | −0.015 (2) | 0.007 (2) | −0.009 (2) |
C28 | 0.063 (4) | 0.049 (4) | 0.033 (3) | −0.020 (3) | 0.009 (2) | −0.003 (2) |
C29 | 0.080 (4) | 0.030 (3) | 0.049 (3) | −0.003 (3) | 0.008 (3) | 0.000 (2) |
C30 | 0.052 (3) | 0.041 (3) | 0.045 (3) | −0.001 (2) | 0.009 (2) | −0.003 (2) |
C211 | 0.0190 (19) | 0.022 (2) | 0.032 (2) | −0.0018 (17) | 0.0016 (16) | 0.0027 (18) |
C212 | 0.028 (2) | 0.027 (2) | 0.036 (3) | −0.0017 (18) | 0.0022 (19) | −0.002 (2) |
C213 | 0.040 (3) | 0.036 (3) | 0.035 (3) | −0.009 (2) | 0.007 (2) | 0.008 (2) |
C214 | 0.035 (3) | 0.043 (3) | 0.032 (3) | −0.005 (2) | 0.009 (2) | −0.004 (2) |
C215 | 0.028 (2) | 0.046 (3) | 0.040 (3) | 0.004 (2) | 0.008 (2) | −0.007 (2) |
C216 | 0.024 (2) | 0.034 (3) | 0.029 (2) | 0.0078 (18) | −0.0005 (18) | 0.0023 (19) |
C221 | 0.022 (2) | 0.029 (2) | 0.032 (2) | −0.0012 (18) | 0.0084 (18) | −0.0001 (19) |
C222 | 0.029 (2) | 0.034 (3) | 0.037 (3) | −0.005 (2) | 0.0020 (19) | 0.004 (2) |
C223 | 0.044 (3) | 0.032 (3) | 0.045 (3) | 0.000 (2) | 0.015 (2) | 0.005 (2) |
C224 | 0.042 (3) | 0.050 (3) | 0.031 (3) | 0.008 (2) | 0.012 (2) | 0.008 (2) |
C225 | 0.032 (2) | 0.058 (3) | 0.027 (3) | 0.001 (2) | 0.0002 (19) | 0.000 (2) |
C226 | 0.026 (2) | 0.027 (2) | 0.042 (3) | −0.0051 (19) | 0.0070 (19) | −0.004 (2) |
C231 | 0.039 (3) | 0.029 (3) | 0.030 (2) | −0.001 (2) | −0.001 (2) | 0.0024 (19) |
C232 | 0.057 (3) | 0.029 (3) | 0.035 (3) | −0.011 (2) | −0.002 (2) | 0.000 (2) |
C233 | 0.098 (3) | 0.035 (2) | 0.050 (2) | −0.0111 (18) | −0.024 (2) | 0.0012 (15) |
C234 | 0.098 (3) | 0.035 (2) | 0.050 (2) | −0.0111 (18) | −0.024 (2) | 0.0012 (15) |
C235 | 0.098 (3) | 0.035 (2) | 0.050 (2) | −0.0111 (18) | −0.024 (2) | 0.0012 (15) |
C236 | 0.045 (3) | 0.051 (3) | 0.045 (3) | 0.012 (3) | −0.009 (2) | 0.002 (3) |
Cl1 | 0.0557 (8) | 0.0367 (7) | 0.0522 (8) | 0.0097 (6) | 0.0129 (6) | −0.0060 (6) |
O11 | 0.076 (3) | 0.046 (2) | 0.046 (2) | 0.0170 (18) | 0.0223 (18) | −0.0021 (17) |
O12 | 0.158 (5) | 0.036 (3) | 0.387 (11) | −0.023 (3) | 0.149 (7) | −0.037 (4) |
O13 | 0.212 (6) | 0.119 (5) | 0.058 (3) | 0.079 (4) | 0.013 (3) | −0.024 (3) |
O14 | 0.091 (4) | 0.138 (5) | 0.153 (5) | 0.064 (3) | −0.035 (3) | −0.047 (4) |
Cl2 | 0.0553 (9) | 0.0426 (9) | 0.1010 (13) | 0.0070 (7) | 0.0113 (8) | 0.0094 (9) |
O21 | 0.096 (4) | 0.101 (4) | 0.187 (6) | 0.037 (3) | 0.037 (4) | 0.034 (4) |
O22 | 0.080 (3) | 0.079 (4) | 0.191 (6) | −0.029 (3) | −0.002 (3) | 0.012 (3) |
O23 | 0.246 (10) | 0.337 (13) | 0.321 (13) | −0.125 (9) | 0.131 (9) | −0.243 (12) |
O24 | 0.159 (7) | 0.187 (8) | 0.431 (16) | 0.057 (6) | 0.060 (8) | 0.216 (10) |
Ag1—N11 | 2.264 (3) | P2—C211 | 1.811 (4) |
Ag1—P1 | 2.3332 (11) | P2—C221 | 1.817 (4) |
Ag1—N12 | 2.333 (3) | N21—C21 | 1.324 (5) |
P1—C121 | 1.812 (4) | N21—C3 | 1.365 (5) |
P1—C111 | 1.816 (4) | N22—C30 | 1.319 (6) |
P1—C131 | 1.825 (4) | N22—C4 | 1.369 (5) |
N11—C11 | 1.341 (5) | C3—C24 | 1.416 (6) |
N11—C1 | 1.360 (5) | C3—C4 | 1.440 (6) |
N12—C20 | 1.320 (5) | C4—C27 | 1.407 (6) |
N12—C2 | 1.366 (5) | C21—C22 | 1.394 (6) |
C1—C14 | 1.418 (5) | C21—H21 | 0.9500 |
C1—C2 | 1.438 (6) | C22—C23 | 1.339 (6) |
C2—C17 | 1.414 (6) | C22—H22 | 0.9500 |
C11—C12 | 1.391 (6) | C23—C24 | 1.399 (7) |
C11—H11 | 0.9500 | C23—H23 | 0.9500 |
C12—C13 | 1.371 (6) | C24—C25 | 1.423 (6) |
C12—H12 | 0.9500 | C25—C26 | 1.337 (7) |
C13—C14 | 1.383 (6) | C25—H25 | 0.9500 |
C13—H13 | 0.9500 | C26—C27 | 1.437 (7) |
C14—C15 | 1.408 (6) | C26—H26 | 0.9500 |
C15—C16 | 1.367 (6) | C27—C28 | 1.393 (7) |
C15—H15 | 0.9500 | C28—C29 | 1.367 (7) |
C16—C17 | 1.414 (6) | C28—H28 | 0.9500 |
C16—H16 | 0.9500 | C29—C30 | 1.396 (7) |
C17—C18 | 1.419 (7) | C29—H29 | 0.9500 |
C18—C19 | 1.367 (7) | C30—H30 | 0.9500 |
C18—H18 | 0.9500 | C211—C216 | 1.387 (5) |
C19—C20 | 1.380 (6) | C211—C212 | 1.396 (5) |
C19—H19 | 0.9500 | C212—C213 | 1.385 (6) |
C20—H20 | 0.9500 | C212—H212 | 0.9500 |
C111—C116 | 1.365 (6) | C213—C214 | 1.373 (6) |
C111—C112 | 1.385 (6) | C213—H213 | 0.9500 |
C112—C113 | 1.372 (6) | C214—C215 | 1.374 (6) |
C112—H112 | 0.9500 | C214—H214 | 0.9500 |
C113—C114 | 1.387 (7) | C215—C216 | 1.382 (6) |
C113—H113 | 0.9500 | C215—H215 | 0.9500 |
C114—C115 | 1.375 (7) | C216—H216 | 0.9500 |
C114—H114 | 0.9500 | C221—C226 | 1.388 (6) |
C115—C116 | 1.388 (6) | C221—C222 | 1.398 (6) |
C115—H115 | 0.9500 | C222—C223 | 1.369 (6) |
C116—H116 | 0.9500 | C222—H222 | 0.9500 |
C121—C122 | 1.383 (6) | C223—C224 | 1.372 (6) |
C121—C126 | 1.405 (6) | C223—H223 | 0.9500 |
C122—C123 | 1.382 (6) | C224—C225 | 1.373 (6) |
C122—H122 | 0.9500 | C224—H224 | 0.9500 |
C123—C124 | 1.389 (6) | C225—C226 | 1.398 (6) |
C123—H123 | 0.9500 | C225—H225 | 0.9500 |
C124—C125 | 1.368 (6) | C226—H226 | 0.9500 |
C124—H124 | 0.9500 | C231—C232 | 1.400 (6) |
C125—C126 | 1.387 (6) | C231—C236 | 1.401 (6) |
C125—H125 | 0.9500 | C232—C233 | 1.387 (6) |
C126—H126 | 0.9500 | C232—H232 | 0.9500 |
C131—C132 | 1.374 (6) | C233—C234 | 1.357 (7) |
C131—C136 | 1.398 (6) | C233—H233 | 0.9500 |
C132—C133 | 1.392 (7) | C234—C235 | 1.363 (7) |
C132—H132 | 0.9500 | C234—H234 | 0.9500 |
C133—C134 | 1.368 (8) | C235—C236 | 1.406 (7) |
C133—H133 | 0.9500 | C235—H235 | 0.9500 |
C134—C135 | 1.374 (7) | C236—H236 | 0.9500 |
C134—H134 | 0.9500 | Cl1—O12 | 1.350 (5) |
C135—C136 | 1.380 (7) | Cl1—O13 | 1.402 (5) |
C135—H135 | 0.9500 | Cl1—O14 | 1.409 (5) |
C136—H136 | 0.9500 | Cl1—O11 | 1.438 (3) |
Ag2—N21 | 2.281 (3) | Cl2—O23 | 1.278 (7) |
Ag2—N22 | 2.311 (3) | Cl2—O21 | 1.363 (5) |
Ag2—P2 | 2.3524 (11) | Cl2—O24 | 1.376 (8) |
P2—C231 | 1.809 (4) | Cl2—O22 | 1.394 (4) |
N11—Ag1—P1 | 147.14 (9) | C231—P2—Ag2 | 115.98 (15) |
N11—Ag1—N12 | 74.01 (12) | C211—P2—Ag2 | 113.88 (13) |
P1—Ag1—N12 | 136.06 (9) | C221—P2—Ag2 | 108.49 (13) |
C121—P1—C111 | 101.32 (19) | C21—N21—C3 | 118.1 (4) |
C121—P1—C131 | 106.62 (19) | C21—N21—Ag2 | 126.5 (3) |
C111—P1—C131 | 105.23 (19) | C3—N21—Ag2 | 115.4 (3) |
C121—P1—Ag1 | 112.18 (14) | C30—N22—C4 | 117.5 (4) |
C111—P1—Ag1 | 113.48 (14) | C30—N22—Ag2 | 127.6 (3) |
C131—P1—Ag1 | 116.62 (14) | C4—N22—Ag2 | 114.9 (3) |
C11—N11—C1 | 118.6 (4) | N21—C3—C24 | 121.6 (4) |
C11—N11—Ag1 | 126.7 (3) | N21—C3—C4 | 118.9 (4) |
C1—N11—Ag1 | 114.3 (3) | C24—C3—C4 | 119.5 (4) |
C20—N12—C2 | 118.5 (4) | N22—C4—C27 | 122.7 (4) |
C20—N12—Ag1 | 129.3 (3) | N22—C4—C3 | 117.7 (4) |
C2—N12—Ag1 | 111.6 (3) | C27—C4—C3 | 119.6 (4) |
N11—C1—C14 | 121.5 (4) | N21—C21—C22 | 123.2 (4) |
N11—C1—C2 | 118.9 (4) | N21—C21—H21 | 118.4 |
C14—C1—C2 | 119.5 (4) | C22—C21—H21 | 118.4 |
N12—C2—C17 | 122.0 (4) | C23—C22—C21 | 119.3 (5) |
N12—C2—C1 | 119.5 (4) | C23—C22—H22 | 120.3 |
C17—C2—C1 | 118.6 (4) | C21—C22—H22 | 120.3 |
N11—C11—C12 | 122.4 (4) | C22—C23—C24 | 120.4 (4) |
N11—C11—H11 | 118.8 | C22—C23—H23 | 119.8 |
C12—C11—H11 | 118.8 | C24—C23—H23 | 119.8 |
C13—C12—C11 | 119.4 (4) | C23—C24—C3 | 117.3 (4) |
C13—C12—H12 | 120.3 | C23—C24—C25 | 123.6 (4) |
C11—C12—H12 | 120.3 | C3—C24—C25 | 119.0 (4) |
C12—C13—C14 | 119.8 (4) | C26—C25—C24 | 121.5 (4) |
C12—C13—H13 | 120.1 | C26—C25—H25 | 119.2 |
C14—C13—H13 | 120.1 | C24—C25—H25 | 119.2 |
C13—C14—C15 | 122.3 (4) | C25—C26—C27 | 121.5 (4) |
C13—C14—C1 | 118.3 (4) | C25—C26—H26 | 119.2 |
C15—C14—C1 | 119.4 (4) | C27—C26—H26 | 119.2 |
C16—C15—C14 | 121.7 (4) | C28—C27—C4 | 117.2 (5) |
C16—C15—H15 | 119.1 | C28—C27—C26 | 124.0 (4) |
C14—C15—H15 | 119.1 | C4—C27—C26 | 118.8 (5) |
C15—C16—C17 | 119.9 (4) | C29—C28—C27 | 120.4 (5) |
C15—C16—H16 | 120.0 | C29—C28—H28 | 119.8 |
C17—C16—H16 | 120.0 | C27—C28—H28 | 119.8 |
C2—C17—C16 | 120.7 (4) | C28—C29—C30 | 118.5 (5) |
C2—C17—C18 | 116.5 (4) | C28—C29—H29 | 120.8 |
C16—C17—C18 | 122.7 (4) | C30—C29—H29 | 120.8 |
C19—C18—C17 | 120.4 (4) | N22—C30—C29 | 123.8 (5) |
C19—C18—H18 | 119.8 | N22—C30—H30 | 118.1 |
C17—C18—H18 | 119.8 | C29—C30—H30 | 118.1 |
C18—C19—C20 | 118.6 (4) | C216—C211—C212 | 119.1 (4) |
C18—C19—H19 | 120.7 | C216—C211—P2 | 123.0 (3) |
C20—C19—H19 | 120.7 | C212—C211—P2 | 117.4 (3) |
N12—C20—C19 | 123.9 (5) | C213—C212—C211 | 119.6 (4) |
N12—C20—H20 | 118.0 | C213—C212—H212 | 120.2 |
C19—C20—H20 | 118.0 | C211—C212—H212 | 120.2 |
C116—C111—C112 | 119.9 (4) | C214—C213—C212 | 120.5 (4) |
C116—C111—P1 | 121.7 (3) | C214—C213—H213 | 119.8 |
C112—C111—P1 | 118.4 (3) | C212—C213—H213 | 119.8 |
C113—C112—C111 | 120.3 (5) | C213—C214—C215 | 120.4 (4) |
C113—C112—H112 | 119.8 | C213—C214—H214 | 119.8 |
C111—C112—H112 | 119.8 | C215—C214—H214 | 119.8 |
C112—C113—C114 | 119.6 (5) | C214—C215—C216 | 119.7 (4) |
C112—C113—H113 | 120.2 | C214—C215—H215 | 120.2 |
C114—C113—H113 | 120.2 | C216—C215—H215 | 120.2 |
C115—C114—C113 | 120.2 (4) | C215—C216—C211 | 120.7 (4) |
C115—C114—H114 | 119.9 | C215—C216—H216 | 119.6 |
C113—C114—H114 | 119.9 | C211—C216—H216 | 119.6 |
C114—C115—C116 | 119.5 (5) | C226—C221—C222 | 118.9 (4) |
C114—C115—H115 | 120.2 | C226—C221—P2 | 123.1 (3) |
C116—C115—H115 | 120.2 | C222—C221—P2 | 117.7 (3) |
C111—C116—C115 | 120.4 (5) | C223—C222—C221 | 120.1 (4) |
C111—C116—H116 | 119.8 | C223—C222—H222 | 120.0 |
C115—C116—H116 | 119.8 | C221—C222—H222 | 120.0 |
C122—C121—C126 | 118.6 (4) | C222—C223—C224 | 121.2 (4) |
C122—C121—P1 | 117.4 (3) | C222—C223—H223 | 119.4 |
C126—C121—P1 | 123.9 (3) | C224—C223—H223 | 119.4 |
C123—C122—C121 | 121.1 (4) | C223—C224—C225 | 119.5 (4) |
C123—C122—H122 | 119.5 | C223—C224—H224 | 120.2 |
C121—C122—H122 | 119.5 | C225—C224—H224 | 120.2 |
C122—C123—C124 | 119.4 (4) | C224—C225—C226 | 120.3 (4) |
C122—C123—H123 | 120.3 | C224—C225—H225 | 119.9 |
C124—C123—H123 | 120.3 | C226—C225—H225 | 119.9 |
C125—C124—C123 | 120.7 (4) | C221—C226—C225 | 119.9 (4) |
C125—C124—H124 | 119.6 | C221—C226—H226 | 120.1 |
C123—C124—H124 | 119.6 | C225—C226—H226 | 120.1 |
C124—C125—C126 | 119.9 (4) | C232—C231—C236 | 117.9 (4) |
C124—C125—H125 | 120.0 | C232—C231—P2 | 121.6 (3) |
C126—C125—H125 | 120.0 | C236—C231—P2 | 120.3 (4) |
C125—C126—C121 | 120.2 (4) | C233—C232—C231 | 120.9 (5) |
C125—C126—H126 | 119.9 | C233—C232—H232 | 119.6 |
C121—C126—H126 | 119.9 | C231—C232—H232 | 119.6 |
C132—C131—C136 | 120.0 (4) | C234—C233—C232 | 120.0 (6) |
C132—C131—P1 | 123.2 (3) | C234—C233—H233 | 120.0 |
C136—C131—P1 | 116.7 (3) | C232—C233—H233 | 120.0 |
C131—C132—C133 | 119.9 (5) | C233—C234—C235 | 121.5 (6) |
C131—C132—H132 | 120.0 | C233—C234—H234 | 119.2 |
C133—C132—H132 | 120.0 | C235—C234—H234 | 119.2 |
C134—C133—C132 | 119.9 (5) | C234—C235—C236 | 119.5 (6) |
C134—C133—H133 | 120.1 | C234—C235—H235 | 120.2 |
C132—C133—H133 | 120.1 | C236—C235—H235 | 120.2 |
C133—C134—C135 | 120.5 (5) | C231—C236—C235 | 120.2 (5) |
C133—C134—H134 | 119.8 | C231—C236—H236 | 119.9 |
C135—C134—H134 | 119.8 | C235—C236—H236 | 119.9 |
C134—C135—C136 | 120.5 (5) | O12—Cl1—O13 | 111.5 (5) |
C134—C135—H135 | 119.7 | O12—Cl1—O14 | 111.5 (4) |
C136—C135—H135 | 119.7 | O13—Cl1—O14 | 103.0 (4) |
C135—C136—C131 | 119.2 (5) | O12—Cl1—O11 | 112.0 (3) |
C135—C136—H136 | 120.4 | O13—Cl1—O11 | 107.5 (2) |
C131—C136—H136 | 120.4 | O14—Cl1—O11 | 111.0 (3) |
N21—Ag2—N22 | 73.11 (12) | O23—Cl2—O21 | 115.8 (6) |
N21—Ag2—P2 | 145.71 (9) | O23—Cl2—O24 | 104.9 (8) |
N22—Ag2—P2 | 140.72 (10) | O21—Cl2—O24 | 107.6 (4) |
C231—P2—C211 | 102.17 (18) | O23—Cl2—O22 | 109.6 (5) |
C231—P2—C221 | 108.2 (2) | O21—Cl2—O22 | 112.1 (3) |
C211—P2—C221 | 107.66 (18) | O24—Cl2—O22 | 106.1 (5) |