Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806056273/bi2124sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806056273/bi2124Isup2.hkl |
CCDC reference: 636141
Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Version 1.64.02; Farrugia, 1999).
[Ag2Br2(C46H50N4)] | Z = 2 |
Mr = 1034.46 | F(000) = 1036 |
Triclinic, P1 | Dx = 1.677 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.0005 (5) Å | Cell parameters from 3879 reflections |
b = 15.8848 (8) Å | θ = 2.3–28.0° |
c = 16.7023 (10) Å | µ = 2.94 mm−1 |
α = 61.286 (4)° | T = 293 K |
β = 78.137 (5)° | Plate, colourless |
γ = 83.419 (5)° | 0.60 × 0.44 × 0.08 mm |
V = 2049.2 (2) Å3 |
Stoe IPDS 2 diffractometer | 8059 independent reflections |
Radiation source: fine-focus sealed tube | 6003 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.060 |
ω scans | θmax = 26.0°, θmin = 2.3° |
Absorption correction: integration X-RED (Stoe & Cie, 2002) | h = −11→11 |
Tmin = 0.083, Tmax = 0.815 | k = −19→19 |
29913 measured reflections | l = −20→20 |
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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.089 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0461P)2 + 0.4769P] where P = (Fo2 + 2Fc2)/3 |
8059 reflections | (Δ/σ)max = 0.001 |
496 parameters | Δρmax = 0.77 e Å−3 |
2 restraints | Δρmin = −0.62 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 | ||
C1 | 0.5933 (4) | −0.0133 (3) | 0.6022 (3) | 0.0416 (8) | |
C2 | 0.6390 (5) | −0.0861 (3) | 0.5790 (3) | 0.0496 (9) | |
H2 | 0.5961 | −0.1465 | 0.6135 | 0.060* | |
C3 | 0.7514 (5) | −0.0650 (3) | 0.5023 (3) | 0.0571 (11) | |
H3 | 0.7846 | −0.1125 | 0.4849 | 0.068* | |
C4 | 0.8152 (5) | 0.0238 (3) | 0.4511 (3) | 0.0582 (11) | |
H4 | 0.8915 | 0.0349 | 0.4004 | 0.070* | |
C5 | 0.7691 (5) | 0.0974 (3) | 0.4730 (3) | 0.0496 (9) | |
H5 | 0.8115 | 0.1580 | 0.4378 | 0.060* | |
C6 | 0.6560 (4) | 0.0762 (3) | 0.5502 (3) | 0.0401 (8) | |
C7 | 0.4797 (4) | 0.0790 (3) | 0.6669 (3) | 0.0406 (8) | |
C8 | 0.3985 (5) | −0.0928 (3) | 0.7455 (3) | 0.0533 (10) | |
H8A | 0.4583 | −0.1504 | 0.7542 | 0.064* | |
H8B | 0.3078 | −0.0950 | 0.7238 | 0.064* | |
C9 | 0.3520 (5) | −0.0939 (3) | 0.8380 (3) | 0.0454 (9) | |
C10 | 0.1978 (5) | −0.0898 (3) | 0.8739 (3) | 0.0506 (10) | |
C11 | 0.1588 (5) | −0.0896 (3) | 0.9587 (3) | 0.0558 (11) | |
H11 | 0.0566 | −0.0876 | 0.9832 | 0.067* | |
C12 | 0.2664 (6) | −0.0923 (3) | 1.0076 (3) | 0.0594 (12) | |
C13 | 0.4164 (6) | −0.1004 (3) | 0.9734 (3) | 0.0623 (12) | |
H13 | 0.4895 | −0.1053 | 1.0076 | 0.075* | |
C14 | 0.4626 (5) | −0.1014 (3) | 0.8892 (3) | 0.0537 (10) | |
C15 | 0.0730 (6) | −0.0857 (4) | 0.8240 (4) | 0.0701 (13) | |
H15A | 0.0827 | −0.1400 | 0.8127 | 0.105* | |
H15B | 0.0808 | −0.0276 | 0.7660 | 0.105* | |
H15C | −0.0239 | −0.0867 | 0.8615 | 0.105* | |
C16 | 0.2197 (8) | −0.0870 (4) | 1.0968 (3) | 0.0848 (18) | |
H16A | 0.1408 | −0.0391 | 1.0899 | 0.127* | |
H16B | 0.3055 | −0.0702 | 1.1118 | 0.127* | |
H16C | 0.1829 | −0.1482 | 1.1456 | 0.127* | |
C17 | 0.6285 (6) | −0.1105 (4) | 0.8548 (4) | 0.0798 (15) | |
H17A | 0.6430 | −0.1589 | 0.8350 | 0.120* | |
H17B | 0.6847 | −0.1283 | 0.9039 | 0.120* | |
H17C | 0.6639 | −0.0502 | 0.8037 | 0.120* | |
C18 | 0.6313 (4) | 0.2300 (3) | 0.5594 (3) | 0.0441 (9) | |
H18A | 0.6735 | 0.2575 | 0.4938 | 0.053* | |
H18B | 0.7125 | 0.2256 | 0.5915 | 0.053* | |
C19 | 0.5095 (4) | 0.2991 (2) | 0.5734 (2) | 0.0371 (8) | |
C20 | 0.4051 (4) | 0.3400 (2) | 0.5136 (2) | 0.0349 (7) | |
C21 | 0.3041 (4) | 0.4122 (2) | 0.5189 (2) | 0.0361 (7) | |
C22 | 0.3123 (4) | 0.4427 (2) | 0.5837 (2) | 0.0339 (7) | |
C23 | 0.4147 (4) | 0.4013 (2) | 0.6438 (2) | 0.0350 (7) | |
C24 | 0.5163 (4) | 0.3280 (2) | 0.6398 (2) | 0.0360 (7) | |
C25 | 0.3948 (5) | 0.3061 (3) | 0.4450 (3) | 0.0538 (10) | |
H25A | 0.4131 | 0.3588 | 0.3834 | 0.081* | |
H25B | 0.2953 | 0.2817 | 0.4574 | 0.081* | |
H25C | 0.4694 | 0.2562 | 0.4504 | 0.081* | |
C26 | 0.1895 (5) | 0.4529 (4) | 0.4551 (3) | 0.0591 (11) | |
H26A | 0.2399 | 0.4717 | 0.3926 | 0.089* | |
H26B | 0.1396 | 0.5079 | 0.4590 | 0.089* | |
H26C | 0.1158 | 0.4051 | 0.4730 | 0.089* | |
C27 | 0.4202 (5) | 0.4315 (3) | 0.7161 (3) | 0.0546 (10) | |
H27A | 0.5229 | 0.4457 | 0.7126 | 0.082* | |
H27B | 0.3843 | 0.3804 | 0.7765 | 0.082* | |
H27C | 0.3570 | 0.4877 | 0.7050 | 0.082* | |
C28 | 0.6241 (5) | 0.2817 (3) | 0.7080 (3) | 0.0572 (11) | |
H28A | 0.5742 | 0.2749 | 0.7673 | 0.086* | |
H28B | 0.7116 | 0.3211 | 0.6865 | 0.086* | |
H28C | 0.6552 | 0.2195 | 0.7135 | 0.086* | |
C29 | 0.2131 (4) | 0.5267 (2) | 0.5845 (2) | 0.0397 (8) | |
H29A | 0.2770 | 0.5722 | 0.5840 | 0.048* | |
H29B | 0.1708 | 0.5588 | 0.5278 | 0.048* | |
C30 | 0.0106 (4) | 0.5704 (2) | 0.6862 (2) | 0.0348 (7) | |
C31 | 0.0182 (4) | 0.6691 (3) | 0.6408 (3) | 0.0450 (9) | |
H31 | 0.0849 | 0.7014 | 0.5854 | 0.054* | |
C32 | −0.0783 (5) | 0.7184 (3) | 0.6812 (3) | 0.0532 (10) | |
H32 | −0.0758 | 0.7850 | 0.6528 | 0.064* | |
C33 | −0.1780 (5) | 0.6695 (3) | 0.7630 (3) | 0.0543 (10) | |
H33 | −0.2394 | 0.7043 | 0.7892 | 0.065* | |
C34 | −0.1896 (5) | 0.5710 (3) | 0.8072 (3) | 0.0483 (9) | |
H34 | −0.2590 | 0.5390 | 0.8613 | 0.058* | |
C35 | −0.0923 (4) | 0.5215 (2) | 0.7670 (2) | 0.0352 (7) | |
C36 | 0.0341 (4) | 0.4132 (2) | 0.7252 (2) | 0.0354 (7) | |
C37 | −0.1577 (5) | 0.3435 (3) | 0.8688 (2) | 0.0467 (9) | |
H37A | −0.0956 | 0.2858 | 0.8821 | 0.056* | |
H37B | −0.2494 | 0.3351 | 0.8516 | 0.056* | |
C38 | −0.2015 (4) | 0.3533 (2) | 0.9565 (2) | 0.0378 (8) | |
C39 | −0.3555 (4) | 0.3596 (3) | 0.9918 (2) | 0.0428 (8) | |
C40 | −0.3936 (5) | 0.3647 (3) | 1.0746 (3) | 0.0512 (10) | |
H40 | −0.4955 | 0.3681 | 1.0987 | 0.061* | |
C41 | −0.2854 (5) | 0.3648 (3) | 1.1216 (3) | 0.0551 (11) | |
C42 | −0.1360 (5) | 0.3599 (3) | 1.0847 (3) | 0.0562 (11) | |
H42 | −0.0615 | 0.3602 | 1.1158 | 0.067* | |
C43 | −0.0920 (5) | 0.3546 (3) | 1.0029 (3) | 0.0476 (9) | |
C44 | −0.4816 (6) | 0.3626 (4) | 0.9437 (3) | 0.0674 (13) | |
H44A | −0.5773 | 0.3706 | 0.9775 | 0.101* | |
H44B | −0.4810 | 0.3036 | 0.9407 | 0.101* | |
H44C | −0.4670 | 0.4154 | 0.8820 | 0.101* | |
C45 | −0.3321 (8) | 0.3671 (5) | 1.2128 (4) | 0.0882 (18) | |
H45A | −0.2740 | 0.4142 | 1.2127 | 0.132* | |
H45B | −0.3138 | 0.3051 | 1.2627 | 0.132* | |
H45C | −0.4382 | 0.3836 | 1.2209 | 0.132* | |
C46 | 0.0770 (5) | 0.3498 (5) | 0.9670 (4) | 0.0763 (15) | |
H46A | 0.1022 | 0.4025 | 0.9058 | 0.115* | |
H46B | 0.1008 | 0.2904 | 0.9649 | 0.115* | |
H46C | 0.1345 | 0.3536 | 1.0076 | 0.115* | |
N1 | 0.4866 (4) | −0.0091 (2) | 0.6736 (2) | 0.0413 (7) | |
N2 | 0.5818 (3) | 0.1321 (2) | 0.5910 (2) | 0.0401 (7) | |
N3 | 0.0871 (3) | 0.50137 (19) | 0.66392 (18) | 0.0324 (6) | |
N4 | −0.0745 (3) | 0.4250 (2) | 0.78901 (18) | 0.0368 (6) | |
Ag1 | 0.33850 (4) | 0.12412 (2) | 0.75687 (2) | 0.05782 (11) | |
Ag2 | 0.08166 (4) | 0.28508 (2) | 0.71305 (2) | 0.05102 (10) | |
Br1 | 0.23370 (6) | 0.17492 (3) | 0.87523 (3) | 0.06107 (13) | |
Br2 | 0.03633 (6) | 0.18830 (4) | 0.63827 (4) | 0.06531 (14) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.044 (2) | 0.038 (2) | 0.0444 (19) | 0.0038 (16) | −0.0029 (16) | −0.0234 (17) |
C2 | 0.063 (3) | 0.038 (2) | 0.052 (2) | 0.0009 (18) | −0.0031 (19) | −0.0274 (18) |
C3 | 0.070 (3) | 0.052 (3) | 0.062 (3) | 0.010 (2) | −0.006 (2) | −0.040 (2) |
C4 | 0.059 (3) | 0.062 (3) | 0.058 (2) | 0.005 (2) | 0.006 (2) | −0.039 (2) |
C5 | 0.049 (2) | 0.044 (2) | 0.052 (2) | −0.0028 (18) | 0.0089 (18) | −0.0268 (19) |
C6 | 0.041 (2) | 0.0358 (19) | 0.047 (2) | 0.0059 (15) | −0.0026 (16) | −0.0254 (17) |
C7 | 0.0358 (19) | 0.0365 (19) | 0.046 (2) | 0.0014 (15) | 0.0032 (15) | −0.0214 (16) |
C8 | 0.060 (3) | 0.043 (2) | 0.053 (2) | −0.0114 (19) | 0.0074 (19) | −0.0239 (19) |
C9 | 0.052 (2) | 0.0324 (19) | 0.043 (2) | −0.0011 (16) | −0.0006 (17) | −0.0139 (16) |
C10 | 0.053 (2) | 0.036 (2) | 0.049 (2) | −0.0012 (17) | 0.0005 (18) | −0.0124 (17) |
C11 | 0.052 (3) | 0.045 (2) | 0.047 (2) | 0.0014 (19) | 0.0066 (19) | −0.0096 (19) |
C12 | 0.078 (3) | 0.038 (2) | 0.040 (2) | 0.008 (2) | 0.000 (2) | −0.0071 (18) |
C13 | 0.076 (3) | 0.051 (3) | 0.057 (3) | 0.010 (2) | −0.023 (2) | −0.021 (2) |
C14 | 0.048 (2) | 0.042 (2) | 0.061 (2) | 0.0030 (18) | −0.004 (2) | −0.020 (2) |
C15 | 0.057 (3) | 0.076 (3) | 0.072 (3) | −0.006 (2) | −0.009 (2) | −0.031 (3) |
C16 | 0.126 (5) | 0.072 (3) | 0.049 (3) | 0.018 (3) | −0.011 (3) | −0.028 (3) |
C17 | 0.052 (3) | 0.095 (4) | 0.099 (4) | 0.011 (3) | −0.011 (3) | −0.055 (4) |
C18 | 0.0370 (19) | 0.0368 (19) | 0.058 (2) | −0.0014 (15) | 0.0087 (17) | −0.0280 (18) |
C19 | 0.0364 (19) | 0.0283 (17) | 0.0415 (18) | −0.0052 (14) | 0.0111 (15) | −0.0183 (15) |
C20 | 0.0367 (18) | 0.0379 (18) | 0.0315 (16) | −0.0071 (14) | 0.0056 (14) | −0.0204 (15) |
C21 | 0.0335 (18) | 0.0376 (19) | 0.0345 (17) | −0.0012 (14) | 0.0007 (14) | −0.0172 (15) |
C22 | 0.0323 (17) | 0.0317 (17) | 0.0344 (16) | 0.0004 (14) | 0.0048 (14) | −0.0173 (14) |
C23 | 0.0368 (18) | 0.0383 (18) | 0.0356 (17) | −0.0030 (14) | 0.0006 (14) | −0.0239 (15) |
C24 | 0.0298 (17) | 0.0383 (18) | 0.0380 (17) | 0.0011 (14) | −0.0013 (14) | −0.0186 (15) |
C25 | 0.066 (3) | 0.060 (3) | 0.047 (2) | −0.003 (2) | −0.0008 (19) | −0.037 (2) |
C26 | 0.055 (3) | 0.079 (3) | 0.054 (2) | 0.017 (2) | −0.018 (2) | −0.040 (2) |
C27 | 0.055 (3) | 0.069 (3) | 0.059 (2) | −0.001 (2) | −0.005 (2) | −0.046 (2) |
C28 | 0.052 (3) | 0.065 (3) | 0.058 (2) | 0.011 (2) | −0.019 (2) | −0.030 (2) |
C29 | 0.0398 (19) | 0.0339 (18) | 0.0363 (17) | 0.0015 (15) | 0.0075 (15) | −0.0152 (15) |
C30 | 0.0356 (18) | 0.0369 (18) | 0.0353 (17) | 0.0051 (14) | −0.0042 (14) | −0.0217 (15) |
C31 | 0.042 (2) | 0.037 (2) | 0.049 (2) | −0.0002 (16) | 0.0055 (16) | −0.0194 (17) |
C32 | 0.054 (3) | 0.035 (2) | 0.065 (3) | 0.0018 (18) | 0.003 (2) | −0.025 (2) |
C33 | 0.055 (2) | 0.046 (2) | 0.063 (2) | 0.0093 (19) | 0.005 (2) | −0.035 (2) |
C34 | 0.051 (2) | 0.044 (2) | 0.046 (2) | 0.0008 (17) | 0.0111 (17) | −0.0262 (18) |
C35 | 0.0380 (19) | 0.0347 (18) | 0.0352 (17) | 0.0015 (14) | −0.0026 (14) | −0.0203 (15) |
C36 | 0.0379 (19) | 0.0368 (18) | 0.0305 (16) | 0.0030 (15) | −0.0026 (14) | −0.0171 (15) |
C37 | 0.059 (2) | 0.042 (2) | 0.0355 (18) | −0.0104 (18) | 0.0114 (17) | −0.0206 (17) |
C38 | 0.045 (2) | 0.0366 (19) | 0.0291 (16) | −0.0020 (15) | −0.0013 (14) | −0.0151 (15) |
C39 | 0.043 (2) | 0.044 (2) | 0.0361 (18) | −0.0001 (16) | −0.0004 (15) | −0.0173 (16) |
C40 | 0.043 (2) | 0.060 (3) | 0.045 (2) | 0.0023 (18) | 0.0076 (17) | −0.027 (2) |
C41 | 0.069 (3) | 0.060 (3) | 0.039 (2) | 0.008 (2) | −0.0029 (19) | −0.029 (2) |
C42 | 0.062 (3) | 0.073 (3) | 0.048 (2) | 0.010 (2) | −0.023 (2) | −0.038 (2) |
C43 | 0.042 (2) | 0.052 (2) | 0.049 (2) | 0.0058 (17) | −0.0050 (17) | −0.0271 (19) |
C44 | 0.051 (3) | 0.091 (4) | 0.062 (3) | −0.006 (2) | −0.010 (2) | −0.037 (3) |
C45 | 0.105 (5) | 0.120 (5) | 0.061 (3) | 0.013 (4) | −0.006 (3) | −0.065 (3) |
C46 | 0.042 (3) | 0.112 (4) | 0.092 (4) | 0.010 (3) | −0.012 (2) | −0.064 (4) |
N1 | 0.0432 (17) | 0.0358 (16) | 0.0446 (16) | 0.0000 (13) | 0.0015 (13) | −0.0222 (14) |
N2 | 0.0422 (17) | 0.0322 (15) | 0.0458 (16) | 0.0025 (13) | 0.0046 (13) | −0.0236 (14) |
N3 | 0.0355 (15) | 0.0315 (15) | 0.0303 (13) | 0.0025 (12) | −0.0003 (11) | −0.0171 (12) |
N4 | 0.0428 (17) | 0.0378 (16) | 0.0303 (14) | 0.0005 (13) | 0.0026 (12) | −0.0202 (13) |
Ag1 | 0.0650 (2) | 0.04457 (18) | 0.05528 (19) | −0.00111 (14) | 0.01879 (15) | −0.02789 (15) |
Ag2 | 0.05568 (19) | 0.04125 (17) | 0.05746 (18) | −0.00389 (13) | 0.01033 (14) | −0.03131 (15) |
Br1 | 0.0725 (3) | 0.0597 (3) | 0.0449 (2) | 0.0130 (2) | −0.0003 (2) | −0.0265 (2) |
Br2 | 0.0615 (3) | 0.0765 (3) | 0.0779 (3) | −0.0068 (2) | 0.0034 (2) | −0.0569 (3) |
Ag1—Br1 | 2.4577 (5) | C23—C24 | 1.414 (5) |
Ag1—Br2 | 3.4639 (7) | C23—C27 | 1.509 (5) |
Ag2—Br1 | 2.9483 (6) | C24—C28 | 1.504 (5) |
Ag2—Br2 | 2.5076 (5) | C25—H25A | 0.960 |
Ag1—C7 | 2.104 (3) | C25—H25B | 0.960 |
Ag2—C36 | 2.128 (3) | C25—H25C | 0.960 |
C1—C6 | 1.375 (5) | C26—H26A | 0.960 |
C1—C2 | 1.383 (5) | C26—H26B | 0.960 |
C1—N1 | 1.392 (4) | C26—H26C | 0.960 |
C2—C3 | 1.382 (6) | C27—H27A | 0.960 |
C2—H2 | 0.930 | C27—H27B | 0.960 |
C3—C4 | 1.370 (7) | C27—H27C | 0.960 |
C3—H3 | 0.930 | C28—H28A | 0.960 |
C4—C5 | 1.381 (5) | C28—H28B | 0.960 |
C4—H4 | 0.930 | C28—H28C | 0.960 |
C5—C6 | 1.391 (5) | C29—N3 | 1.477 (4) |
C5—H5 | 0.930 | C29—H29A | 0.970 |
C6—N2 | 1.399 (4) | C29—H29B | 0.970 |
C7—N1 | 1.345 (4) | C30—C31 | 1.378 (5) |
C7—N2 | 1.354 (5) | C30—C35 | 1.388 (5) |
C8—N1 | 1.468 (5) | C30—N3 | 1.388 (4) |
C8—C9 | 1.507 (5) | C31—C32 | 1.391 (5) |
C8—H8A | 0.970 | C31—H31 | 0.930 |
C8—H8B | 0.970 | C32—C33 | 1.383 (6) |
C9—C14 | 1.401 (6) | C32—H32 | 0.930 |
C9—C10 | 1.401 (6) | C33—C34 | 1.379 (6) |
C10—C11 | 1.388 (6) | C33—H33 | 0.930 |
C10—C15 | 1.509 (7) | C34—C35 | 1.394 (5) |
C11—C12 | 1.375 (7) | C34—H34 | 0.930 |
C11—H11 | 0.930 | C35—N4 | 1.392 (4) |
C12—C13 | 1.371 (7) | C36—N3 | 1.346 (4) |
C12—C16 | 1.503 (6) | C36—N4 | 1.360 (4) |
C13—C14 | 1.388 (6) | C37—N4 | 1.472 (5) |
C13—H13 | 0.930 | C37—C38 | 1.514 (5) |
C14—C17 | 1.503 (7) | C37—H37A | 0.970 |
C15—H15A | 0.960 | C37—H37B | 0.970 |
C15—H15B | 0.960 | C38—C43 | 1.381 (6) |
C15—H15C | 0.960 | C38—C39 | 1.402 (5) |
C16—H16A | 0.960 | C39—C40 | 1.394 (5) |
C16—H16B | 0.960 | C39—C44 | 1.504 (6) |
C16—H16C | 0.960 | C40—C41 | 1.371 (6) |
C17—H17A | 0.960 | C40—H40 | 0.930 |
C17—H17B | 0.960 | C41—C42 | 1.370 (6) |
C17—H17C | 0.960 | C41—C45 | 1.512 (6) |
C18—N2 | 1.472 (5) | C42—C43 | 1.383 (5) |
C18—C19 | 1.525 (4) | C42—H42 | 0.930 |
C18—H18A | 0.970 | C43—C46 | 1.523 (6) |
C18—H18B | 0.970 | C44—H44A | 0.960 |
C19—C20 | 1.388 (5) | C44—H44B | 0.960 |
C19—C24 | 1.403 (5) | C44—H44C | 0.960 |
C20—C21 | 1.405 (5) | C45—H45A | 0.960 |
C20—C25 | 1.503 (5) | C45—H45B | 0.960 |
C21—C22 | 1.398 (5) | C45—H45C | 0.960 |
C21—C26 | 1.502 (5) | C46—H46A | 0.960 |
C22—C23 | 1.377 (5) | C46—H46B | 0.960 |
C22—C29 | 1.522 (4) | C46—H46C | 0.960 |
C6—C1—C2 | 121.1 (3) | C23—C27—H27B | 109.5 |
C6—C1—N1 | 106.3 (3) | H27A—C27—H27B | 109.5 |
C2—C1—N1 | 132.5 (4) | C23—C27—H27C | 109.5 |
C3—C2—C1 | 117.0 (4) | H27A—C27—H27C | 109.5 |
C3—C2—H2 | 121.5 | H27B—C27—H27C | 109.5 |
C1—C2—H2 | 121.5 | C24—C28—H28A | 109.5 |
C4—C3—C2 | 121.8 (4) | C24—C28—H28B | 109.5 |
C4—C3—H3 | 119.1 | H28A—C28—H28B | 109.5 |
C2—C3—H3 | 119.1 | C24—C28—H28C | 109.5 |
C3—C4—C5 | 121.7 (4) | H28A—C28—H28C | 109.5 |
C3—C4—H4 | 119.2 | H28B—C28—H28C | 109.5 |
C5—C4—H4 | 119.2 | N3—C29—C22 | 115.3 (3) |
C4—C5—C6 | 116.5 (4) | N3—C29—H29A | 108.4 |
C4—C5—H5 | 121.7 | C22—C29—H29A | 108.4 |
C6—C5—H5 | 121.7 | N3—C29—H29B | 108.4 |
C1—C6—C5 | 121.8 (3) | C22—C29—H29B | 108.4 |
C1—C6—N2 | 106.2 (3) | H29A—C29—H29B | 107.5 |
C5—C6—N2 | 132.0 (4) | C31—C30—C35 | 122.0 (3) |
N1—C7—N2 | 106.0 (3) | C31—C30—N3 | 131.5 (3) |
N1—C7—Ag1 | 126.6 (3) | C35—C30—N3 | 106.4 (3) |
N2—C7—Ag1 | 127.3 (2) | C30—C31—C32 | 117.2 (4) |
N1—C8—C9 | 114.7 (3) | C30—C31—H31 | 121.4 |
N1—C8—H8A | 108.6 | C32—C31—H31 | 121.4 |
C9—C8—H8A | 108.6 | C33—C32—C31 | 120.8 (4) |
N1—C8—H8B | 108.6 | C33—C32—H32 | 119.6 |
C9—C8—H8B | 108.6 | C31—C32—H32 | 119.6 |
H8A—C8—H8B | 107.6 | C34—C33—C32 | 122.3 (3) |
C14—C9—C10 | 119.9 (4) | C34—C33—H33 | 118.9 |
C14—C9—C8 | 120.0 (4) | C32—C33—H33 | 118.9 |
C10—C9—C8 | 120.0 (4) | C33—C34—C35 | 116.9 (4) |
C11—C10—C9 | 118.6 (4) | C33—C34—H34 | 121.6 |
C11—C10—C15 | 118.9 (4) | C35—C34—H34 | 121.6 |
C9—C10—C15 | 122.5 (4) | C30—C35—N4 | 105.9 (3) |
C12—C11—C10 | 122.1 (4) | C30—C35—C34 | 120.8 (3) |
C12—C11—H11 | 119.0 | N4—C35—C34 | 133.2 (3) |
C10—C11—H11 | 119.0 | N3—C36—N4 | 106.1 (3) |
C13—C12—C11 | 118.5 (4) | N3—C36—Ag2 | 127.1 (2) |
C13—C12—C16 | 121.1 (5) | N4—C36—Ag2 | 126.1 (3) |
C11—C12—C16 | 120.4 (5) | N4—C37—C38 | 115.1 (3) |
C12—C13—C14 | 122.0 (4) | N4—C37—H37A | 108.5 |
C12—C13—H13 | 119.0 | C38—C37—H37A | 108.5 |
C14—C13—H13 | 119.0 | N4—C37—H37B | 108.5 |
C13—C14—C9 | 118.7 (4) | C38—C37—H37B | 108.5 |
C13—C14—C17 | 120.0 (4) | H37A—C37—H37B | 107.5 |
C9—C14—C17 | 121.3 (4) | C43—C38—C39 | 119.6 (3) |
C10—C15—H15A | 109.5 | C43—C38—C37 | 120.9 (3) |
C10—C15—H15B | 109.5 | C39—C38—C37 | 119.5 (3) |
H15A—C15—H15B | 109.5 | C40—C39—C38 | 118.6 (4) |
C10—C15—H15C | 109.5 | C40—C39—C44 | 118.4 (4) |
H15A—C15—H15C | 109.5 | C38—C39—C44 | 123.0 (3) |
H15B—C15—H15C | 109.5 | C41—C40—C39 | 122.1 (4) |
C12—C16—H16A | 109.5 | C41—C40—H40 | 119.0 |
C12—C16—H16B | 109.5 | C39—C40—H40 | 119.0 |
H16A—C16—H16B | 109.5 | C42—C41—C40 | 118.0 (3) |
C12—C16—H16C | 109.5 | C42—C41—C45 | 121.8 (4) |
H16A—C16—H16C | 109.5 | C40—C41—C45 | 120.2 (4) |
H16B—C16—H16C | 109.5 | C41—C42—C43 | 122.3 (4) |
C14—C17—H17A | 109.5 | C41—C42—H42 | 118.8 |
C14—C17—H17B | 109.5 | C43—C42—H42 | 118.8 |
H17A—C17—H17B | 109.5 | C38—C43—C42 | 119.4 (4) |
C14—C17—H17C | 109.5 | C38—C43—C46 | 122.0 (4) |
H17A—C17—H17C | 109.5 | C42—C43—C46 | 118.6 (4) |
H17B—C17—H17C | 109.5 | C39—C44—H44A | 109.5 |
N2—C18—C19 | 116.2 (3) | C39—C44—H44B | 109.5 |
N2—C18—H18A | 108.2 | H44A—C44—H44B | 109.5 |
C19—C18—H18A | 108.2 | C39—C44—H44C | 109.5 |
N2—C18—H18B | 108.2 | H44A—C44—H44C | 109.5 |
C19—C18—H18B | 108.2 | H44B—C44—H44C | 109.5 |
H18A—C18—H18B | 107.4 | C41—C45—H45A | 109.5 |
C20—C19—C24 | 121.3 (3) | C41—C45—H45B | 109.5 |
C20—C19—C18 | 119.3 (3) | H45A—C45—H45B | 109.5 |
C24—C19—C18 | 119.0 (3) | C41—C45—H45C | 109.5 |
C19—C20—C21 | 119.8 (3) | H45A—C45—H45C | 109.5 |
C19—C20—C25 | 120.9 (3) | H45B—C45—H45C | 109.5 |
C21—C20—C25 | 119.3 (3) | C43—C46—H46A | 109.5 |
C22—C21—C20 | 119.2 (3) | C43—C46—H46B | 109.5 |
C22—C21—C26 | 122.4 (3) | H46A—C46—H46B | 109.5 |
C20—C21—C26 | 118.4 (3) | C43—C46—H46C | 109.5 |
C23—C22—C21 | 121.0 (3) | H46A—C46—H46C | 109.5 |
C23—C22—C29 | 119.2 (3) | H46B—C46—H46C | 109.5 |
C21—C22—C29 | 119.7 (3) | C7—N1—C1 | 111.0 (3) |
C22—C23—C24 | 120.4 (3) | C7—N1—C8 | 126.8 (3) |
C22—C23—C27 | 121.2 (3) | C1—N1—C8 | 122.2 (3) |
C24—C23—C27 | 118.4 (3) | C7—N2—C6 | 110.4 (3) |
C19—C24—C23 | 118.3 (3) | C7—N2—C18 | 127.8 (3) |
C19—C24—C28 | 122.2 (3) | C6—N2—C18 | 121.2 (3) |
C23—C24—C28 | 119.5 (3) | C36—N3—C30 | 111.0 (3) |
C20—C25—H25A | 109.5 | C36—N3—C29 | 127.4 (3) |
C20—C25—H25B | 109.5 | C30—N3—C29 | 121.6 (3) |
H25A—C25—H25B | 109.5 | C36—N4—C35 | 110.6 (3) |
C20—C25—H25C | 109.5 | C36—N4—C37 | 122.1 (3) |
H25A—C25—H25C | 109.5 | C35—N4—C37 | 127.2 (3) |
H25B—C25—H25C | 109.5 | Br1—Ag1—Br2 | 99.54 (2) |
C21—C26—H26A | 109.5 | C7—Ag1—Br1 | 165.54 (11) |
C21—C26—H26B | 109.5 | C7—Ag1—Br2 | 94.49 (11) |
H26A—C26—H26B | 109.5 | Br1—Ag2—Br2 | 113.43 (2) |
C21—C26—H26C | 109.5 | C36—Ag2—Br1 | 98.21 (9) |
H26A—C26—H26C | 109.5 | C36—Ag2—Br2 | 147.61 (9) |
H26B—C26—H26C | 109.5 | Ag1—Br1—Ag2 | 70.769 (15) |
C23—C27—H27A | 109.5 | Ag1—Br2—Ag2 | 61.358 (14) |
C6—C1—C2—C3 | 0.8 (6) | N4—C37—C38—C43 | −66.1 (5) |
N1—C1—C2—C3 | −179.4 (4) | N4—C37—C38—C39 | 115.0 (4) |
C1—C2—C3—C4 | 0.0 (7) | C43—C38—C39—C40 | −1.4 (6) |
C2—C3—C4—C5 | −0.8 (7) | C37—C38—C39—C40 | 177.4 (3) |
C3—C4—C5—C6 | 0.8 (7) | C43—C38—C39—C44 | 177.6 (4) |
C2—C1—C6—C5 | −0.8 (6) | C37—C38—C39—C44 | −3.6 (6) |
N1—C1—C6—C5 | 179.4 (4) | C38—C39—C40—C41 | 0.7 (6) |
C2—C1—C6—N2 | 178.4 (4) | C44—C39—C40—C41 | −178.4 (4) |
N1—C1—C6—N2 | −1.4 (4) | C39—C40—C41—C42 | 0.2 (7) |
C4—C5—C6—C1 | 0.0 (6) | C39—C40—C41—C45 | −178.0 (4) |
C4—C5—C6—N2 | −179.0 (4) | C40—C41—C42—C43 | −0.3 (7) |
N1—C8—C9—C14 | −65.1 (5) | C45—C41—C42—C43 | 177.9 (5) |
N1—C8—C9—C10 | 116.6 (4) | C39—C38—C43—C42 | 1.3 (6) |
C14—C9—C10—C11 | 2.5 (6) | C37—C38—C43—C42 | −177.5 (4) |
C8—C9—C10—C11 | −179.2 (4) | C39—C38—C43—C46 | −178.9 (4) |
C14—C9—C10—C15 | −177.5 (4) | C37—C38—C43—C46 | 2.3 (6) |
C8—C9—C10—C15 | 0.9 (6) | C41—C42—C43—C38 | −0.5 (7) |
C9—C10—C11—C12 | 0.7 (6) | C41—C42—C43—C46 | 179.7 (5) |
C15—C10—C11—C12 | −179.3 (4) | N2—C7—N1—C1 | 0.1 (4) |
C10—C11—C12—C13 | −3.4 (6) | Ag1—C7—N1—C1 | −179.8 (3) |
C10—C11—C12—C16 | 176.9 (4) | N2—C7—N1—C8 | 179.1 (4) |
C11—C12—C13—C14 | 3.0 (7) | Ag1—C7—N1—C8 | −0.8 (6) |
C16—C12—C13—C14 | −177.2 (4) | C6—C1—N1—C7 | 0.9 (4) |
C12—C13—C14—C9 | 0.0 (7) | C2—C1—N1—C7 | −179.0 (4) |
C12—C13—C14—C17 | −179.9 (4) | C6—C1—N1—C8 | −178.2 (4) |
C10—C9—C14—C13 | −2.8 (6) | C2—C1—N1—C8 | 2.0 (7) |
C8—C9—C14—C13 | 178.8 (4) | C9—C8—N1—C7 | −28.3 (6) |
C10—C9—C14—C17 | 177.1 (4) | C9—C8—N1—C1 | 150.6 (4) |
C8—C9—C14—C17 | −1.2 (6) | N1—C7—N2—C6 | −1.0 (4) |
N2—C18—C19—C20 | −77.1 (4) | Ag1—C7—N2—C6 | 178.8 (3) |
N2—C18—C19—C24 | 110.0 (4) | N1—C7—N2—C18 | −172.2 (3) |
C24—C19—C20—C21 | 0.3 (5) | Ag1—C7—N2—C18 | 7.7 (6) |
C18—C19—C20—C21 | −172.4 (3) | C1—C6—N2—C7 | 1.6 (4) |
C24—C19—C20—C25 | −177.8 (3) | C5—C6—N2—C7 | −179.4 (4) |
C18—C19—C20—C25 | 9.5 (5) | C1—C6—N2—C18 | 173.4 (3) |
C19—C20—C21—C22 | 1.0 (5) | C5—C6—N2—C18 | −7.5 (6) |
C25—C20—C21—C22 | 179.1 (3) | C19—C18—N2—C7 | −36.9 (6) |
C19—C20—C21—C26 | −178.2 (3) | C19—C18—N2—C6 | 152.8 (3) |
C25—C20—C21—C26 | −0.1 (5) | N4—C36—N3—C30 | −1.7 (4) |
C20—C21—C22—C23 | −1.8 (5) | Ag2—C36—N3—C30 | 168.8 (2) |
C26—C21—C22—C23 | 177.4 (4) | N4—C36—N3—C29 | 175.9 (3) |
C20—C21—C22—C29 | 174.7 (3) | Ag2—C36—N3—C29 | −13.7 (5) |
C26—C21—C22—C29 | −6.2 (5) | C31—C30—N3—C36 | −174.8 (4) |
C21—C22—C23—C24 | 1.3 (5) | C35—C30—N3—C36 | 1.6 (4) |
C29—C22—C23—C24 | −175.2 (3) | C31—C30—N3—C29 | 7.5 (6) |
C21—C22—C23—C27 | −177.8 (4) | C35—C30—N3—C29 | −176.1 (3) |
C29—C22—C23—C27 | 5.7 (5) | C22—C29—N3—C36 | −13.0 (5) |
C20—C19—C24—C23 | −0.8 (5) | C22—C29—N3—C30 | 164.3 (3) |
C18—C19—C24—C23 | 171.9 (3) | N3—C36—N4—C35 | 1.1 (4) |
C20—C19—C24—C28 | 177.4 (4) | Ag2—C36—N4—C35 | −169.5 (2) |
C18—C19—C24—C28 | −9.9 (5) | N3—C36—N4—C37 | −179.0 (3) |
C22—C23—C24—C19 | 0.0 (5) | Ag2—C36—N4—C37 | 10.5 (5) |
C27—C23—C24—C19 | 179.2 (3) | C30—C35—N4—C36 | −0.1 (4) |
C22—C23—C24—C28 | −178.2 (3) | C34—C35—N4—C36 | 177.6 (4) |
C27—C23—C24—C28 | 0.9 (5) | C30—C35—N4—C37 | 179.9 (3) |
C23—C22—C29—N3 | −74.7 (4) | C34—C35—N4—C37 | −2.3 (7) |
C21—C22—C29—N3 | 108.7 (4) | C38—C37—N4—C36 | 146.5 (3) |
C35—C30—C31—C32 | 2.4 (6) | C38—C37—N4—C35 | −33.6 (5) |
N3—C30—C31—C32 | 178.3 (4) | N1—C7—Ag1—Br1 | 106.2 (5) |
C30—C31—C32—C33 | −0.6 (7) | N2—C7—Ag1—Br1 | −73.6 (6) |
C31—C32—C33—C34 | −1.5 (7) | N3—C36—Ag2—Br2 | −74.8 (4) |
C32—C33—C34—C35 | 1.8 (7) | N4—C36—Ag2—Br2 | 93.8 (3) |
C31—C30—C35—N4 | 176.0 (3) | N3—C36—Ag2—Br1 | 117.4 (3) |
N3—C30—C35—N4 | −0.9 (4) | N4—C36—Ag2—Br1 | −73.9 (3) |
C31—C30—C35—C34 | −2.1 (6) | C7—Ag1—Br1—Ag2 | 141.8 (4) |
N3—C30—C35—C34 | −179.0 (3) | C36—Ag2—Br1—Ag1 | −149.98 (10) |
C33—C34—C35—C30 | 0.0 (6) | Br2—Ag2—Br1—Ag1 | 37.13 (2) |
C33—C34—C35—N4 | −177.5 (4) |