Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806046332/bi2089sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806046332/bi2089Isup2.hkl |
CCDC reference: 629439
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.
[Cd(C22H17ClN2)(C6H18N4)](ClO4)2 | F(000) = 1632 |
Mr = 802.37 | Dx = 1.602 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4966 reflections |
a = 8.0031 (15) Å | θ = 2.2–24.2° |
b = 22.004 (4) Å | µ = 0.95 mm−1 |
c = 18.896 (4) Å | T = 298 K |
β = 90.406 (3)° | Block, yellow |
V = 3327.6 (11) Å3 | 0.46 × 0.43 × 0.29 mm |
Z = 4 |
Bruker SMART 1000 CCD diffractometer | 5875 independent reflections |
Radiation source: fine-focus sealed tube | 4213 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.037 |
φ and ω scans | θmax = 25.0°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −9→8 |
Tmin = 0.668, Tmax = 0.769 | k = −25→26 |
17363 measured reflections | l = −22→22 |
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)] = 0.048 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.122 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0436P)2 + 7.6516P] where P = (Fo2 + 2Fc2)/3 |
5875 reflections | (Δ/σ)max < 0.001 |
425 parameters | Δρmax = 0.79 e Å−3 |
126 restraints | Δρmin = −0.47 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 | Occ. (<1) | |
Cd1 | 0.35542 (5) | 0.351904 (19) | 0.06362 (2) | 0.04987 (15) | |
Cl1 | 0.9052 (3) | 0.39814 (11) | 0.45257 (11) | 0.0654 (8) | 0.664 (4) |
Cl1' | 0.9089 (6) | 0.4552 (2) | 0.1598 (2) | 0.0606 (15) | 0.336 (4) |
Cl2 | 0.20677 (18) | 0.58120 (7) | 0.02311 (9) | 0.0648 (4) | |
Cl3 | 0.4660 (2) | 0.31637 (7) | 0.69641 (9) | 0.0694 (4) | |
N1 | 0.4488 (5) | 0.4078 (2) | 0.1551 (2) | 0.0499 (11) | |
N2 | 0.6174 (5) | 0.43306 (17) | 0.2432 (2) | 0.0402 (9) | |
N3 | 0.2995 (5) | 0.2878 (2) | −0.0363 (2) | 0.0510 (11) | |
N4 | 0.2747 (6) | 0.4187 (2) | −0.0204 (3) | 0.0609 (13) | |
H4A | 0.1689 | 0.4306 | −0.0124 | 0.073* | |
H4B | 0.3407 | 0.4518 | −0.0186 | 0.073* | |
N5 | 0.5917 (5) | 0.2919 (2) | 0.0544 (3) | 0.0577 (12) | |
H5A | 0.6807 | 0.3158 | 0.0457 | 0.069* | |
H5B | 0.6100 | 0.2728 | 0.0958 | 0.069* | |
N6 | 0.1334 (6) | 0.2921 (3) | 0.0978 (3) | 0.0750 (15) | |
H6A | 0.1677 | 0.2661 | 0.1316 | 0.090* | |
H6B | 0.0532 | 0.3159 | 0.1164 | 0.090* | |
O1 | 0.3626 (5) | 0.5591 (2) | 0.0010 (3) | 0.0868 (14) | |
O2 | 0.1186 (6) | 0.6048 (3) | −0.0360 (3) | 0.120 (2) | |
O3 | 0.1123 (5) | 0.5340 (2) | 0.0540 (2) | 0.0789 (13) | |
O4 | 0.2307 (8) | 0.6285 (3) | 0.0732 (4) | 0.132 (2) | |
O5 | 0.3403 (10) | 0.3321 (4) | 0.6485 (5) | 0.178 (3) | |
O6 | 0.4338 (8) | 0.2570 (3) | 0.7171 (4) | 0.133 (2) | |
O7 | 0.6210 (8) | 0.3137 (3) | 0.6605 (3) | 0.126 (2) | |
O8 | 0.4841 (11) | 0.3523 (3) | 0.7551 (4) | 0.164 (3) | |
C1 | 0.5580 (6) | 0.3878 (2) | 0.2020 (2) | 0.0411 (11) | |
H1 | 0.5903 | 0.3473 | 0.2063 | 0.049* | |
C2 | 0.5373 (7) | 0.4851 (2) | 0.2205 (3) | 0.0539 (14) | |
H2 | 0.5512 | 0.5240 | 0.2389 | 0.065* | |
C3 | 0.4357 (7) | 0.4694 (3) | 0.1669 (3) | 0.0550 (14) | |
H3 | 0.3671 | 0.4959 | 0.1417 | 0.066* | |
C4 | 0.7354 (6) | 0.4290 (2) | 0.3055 (2) | 0.0382 (11) | |
C5 | 0.6306 (6) | 0.4268 (2) | 0.3735 (3) | 0.0401 (11) | |
C6 | 0.6998 (7) | 0.4126 (2) | 0.4387 (3) | 0.0510 (13) | |
H6 | 0.8134 | 0.4039 | 0.4416 | 0.061* | 0.336 (4) |
C7 | 0.6065 (10) | 0.4108 (3) | 0.4995 (3) | 0.0678 (19) | |
H7 | 0.6586 | 0.4020 | 0.5425 | 0.081* | |
C8 | 0.4407 (12) | 0.4215 (3) | 0.4978 (4) | 0.087 (3) | |
H8 | 0.3778 | 0.4201 | 0.5389 | 0.105* | |
C9 | 0.3684 (9) | 0.4342 (3) | 0.4350 (5) | 0.087 (2) | |
H9 | 0.2539 | 0.4413 | 0.4331 | 0.104* | |
C10 | 0.4605 (7) | 0.4370 (3) | 0.3726 (3) | 0.0589 (15) | |
H10 | 0.4067 | 0.4459 | 0.3300 | 0.071* | |
C11 | 0.8474 (6) | 0.4855 (2) | 0.3008 (2) | 0.0399 (11) | |
C12 | 0.9293 (7) | 0.4997 (3) | 0.2385 (3) | 0.0524 (14) | |
H12 | 0.9132 | 0.4753 | 0.1989 | 0.063* | 0.664 (4) |
C13 | 1.0343 (8) | 0.5495 (3) | 0.2339 (4) | 0.0690 (18) | |
H13 | 1.0854 | 0.5589 | 0.1912 | 0.083* | |
C14 | 1.0630 (8) | 0.5852 (3) | 0.2930 (4) | 0.077 (2) | |
H14 | 1.1380 | 0.6174 | 0.2911 | 0.093* | |
C15 | 0.9809 (8) | 0.5726 (3) | 0.3537 (4) | 0.0717 (18) | |
H15 | 0.9955 | 0.5977 | 0.3929 | 0.086* | |
C16 | 0.8757 (7) | 0.5230 (2) | 0.3581 (3) | 0.0520 (13) | |
H16 | 0.8228 | 0.5146 | 0.4007 | 0.062* | |
C17 | 0.8343 (6) | 0.3688 (2) | 0.2992 (2) | 0.0422 (12) | |
C18 | 0.7550 (7) | 0.3142 (2) | 0.3099 (3) | 0.0509 (13) | |
H18 | 0.6435 | 0.3141 | 0.3234 | 0.061* | |
C19 | 0.8369 (9) | 0.2594 (3) | 0.3011 (3) | 0.0661 (17) | |
H19 | 0.7797 | 0.2230 | 0.3071 | 0.079* | |
C20 | 1.0029 (10) | 0.2590 (3) | 0.2836 (3) | 0.076 (2) | |
H20 | 1.0586 | 0.2224 | 0.2770 | 0.091* | |
C21 | 1.0856 (9) | 0.3126 (4) | 0.2758 (3) | 0.078 (2) | |
H21 | 1.1990 | 0.3123 | 0.2652 | 0.094* | |
C22 | 1.0030 (7) | 0.3681 (3) | 0.2834 (3) | 0.0566 (15) | |
H22 | 1.0609 | 0.4044 | 0.2780 | 0.068* | |
C23 | 0.2269 (10) | 0.3297 (3) | −0.0924 (3) | 0.089 (2) | |
H23A | 0.2535 | 0.3134 | −0.1387 | 0.106* | |
H23B | 0.1062 | 0.3298 | −0.0881 | 0.106* | |
C24 | 0.2854 (9) | 0.3913 (3) | −0.0889 (3) | 0.0730 (18) | |
H24A | 0.4010 | 0.3922 | −0.1039 | 0.088* | |
H24B | 0.2210 | 0.4156 | −0.1221 | 0.088* | |
C25 | 0.4600 (9) | 0.2645 (4) | −0.0600 (4) | 0.099 (3) | |
H25A | 0.5136 | 0.2953 | −0.0887 | 0.119* | |
H25B | 0.4405 | 0.2293 | −0.0899 | 0.119* | |
C26 | 0.5753 (8) | 0.2470 (3) | −0.0019 (4) | 0.0742 (19) | |
H26A | 0.5364 | 0.2092 | 0.0186 | 0.089* | |
H26B | 0.6849 | 0.2396 | −0.0217 | 0.089* | |
C27 | 0.1799 (10) | 0.2426 (3) | −0.0163 (4) | 0.082 (2) | |
H27A | 0.2404 | 0.2065 | −0.0016 | 0.099* | |
H27B | 0.1147 | 0.2319 | −0.0579 | 0.099* | |
C28 | 0.0652 (8) | 0.2586 (3) | 0.0395 (4) | 0.081 (2) | |
H28A | −0.0249 | 0.2823 | 0.0189 | 0.097* | |
H28B | 0.0168 | 0.2215 | 0.0578 | 0.097* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cd1 | 0.0477 (2) | 0.0556 (3) | 0.0462 (2) | 0.00753 (19) | −0.01158 (16) | −0.01263 (19) |
Cl1 | 0.0686 (16) | 0.0857 (18) | 0.0418 (12) | 0.0141 (12) | −0.0116 (10) | 0.0032 (11) |
Cl1' | 0.077 (3) | 0.069 (3) | 0.037 (2) | −0.009 (2) | 0.0080 (19) | 0.0000 (19) |
Cl2 | 0.0433 (8) | 0.0517 (8) | 0.0994 (12) | −0.0022 (6) | 0.0048 (8) | 0.0075 (8) |
Cl3 | 0.0782 (11) | 0.0622 (10) | 0.0678 (10) | −0.0103 (8) | 0.0027 (9) | −0.0015 (8) |
N1 | 0.049 (3) | 0.054 (3) | 0.046 (2) | 0.005 (2) | −0.011 (2) | −0.010 (2) |
N2 | 0.044 (2) | 0.038 (2) | 0.038 (2) | 0.0021 (18) | −0.0096 (18) | −0.0044 (18) |
N3 | 0.048 (3) | 0.046 (3) | 0.059 (3) | −0.001 (2) | −0.002 (2) | −0.016 (2) |
N4 | 0.043 (3) | 0.051 (3) | 0.089 (4) | −0.002 (2) | −0.011 (2) | 0.005 (3) |
N5 | 0.044 (3) | 0.048 (3) | 0.081 (3) | 0.010 (2) | 0.000 (2) | 0.009 (3) |
N6 | 0.063 (3) | 0.101 (4) | 0.062 (3) | −0.007 (3) | 0.016 (3) | 0.004 (3) |
O1 | 0.043 (2) | 0.087 (3) | 0.131 (4) | 0.013 (2) | 0.009 (3) | 0.013 (3) |
O2 | 0.079 (4) | 0.123 (5) | 0.158 (5) | 0.015 (3) | −0.019 (3) | 0.066 (4) |
O3 | 0.068 (3) | 0.069 (3) | 0.100 (3) | −0.022 (2) | 0.010 (2) | 0.005 (2) |
O4 | 0.119 (5) | 0.092 (4) | 0.187 (6) | −0.040 (3) | 0.040 (4) | −0.057 (4) |
O5 | 0.168 (7) | 0.182 (7) | 0.183 (7) | 0.052 (6) | −0.044 (6) | 0.037 (6) |
O6 | 0.130 (5) | 0.086 (4) | 0.183 (6) | −0.025 (4) | 0.007 (4) | 0.040 (4) |
O7 | 0.120 (4) | 0.146 (4) | 0.112 (3) | −0.037 (3) | 0.018 (3) | −0.025 (3) |
O8 | 0.219 (8) | 0.150 (6) | 0.123 (5) | −0.021 (5) | 0.033 (5) | −0.069 (5) |
C1 | 0.047 (3) | 0.036 (3) | 0.040 (3) | 0.005 (2) | −0.006 (2) | −0.006 (2) |
C2 | 0.060 (4) | 0.035 (3) | 0.066 (3) | 0.012 (2) | −0.019 (3) | −0.004 (3) |
C3 | 0.060 (4) | 0.049 (3) | 0.056 (3) | 0.015 (3) | −0.015 (3) | −0.002 (3) |
C4 | 0.038 (3) | 0.040 (3) | 0.036 (2) | 0.003 (2) | −0.002 (2) | −0.002 (2) |
C5 | 0.045 (3) | 0.033 (3) | 0.042 (3) | −0.005 (2) | 0.008 (2) | −0.003 (2) |
C6 | 0.066 (4) | 0.042 (3) | 0.045 (3) | −0.001 (3) | 0.009 (3) | −0.004 (2) |
C7 | 0.117 (6) | 0.043 (3) | 0.043 (3) | −0.007 (4) | 0.026 (4) | −0.004 (3) |
C8 | 0.132 (8) | 0.052 (4) | 0.079 (5) | −0.009 (4) | 0.065 (5) | −0.007 (4) |
C9 | 0.067 (5) | 0.065 (5) | 0.129 (7) | −0.006 (4) | 0.051 (5) | −0.010 (5) |
C10 | 0.043 (3) | 0.061 (4) | 0.072 (4) | −0.004 (3) | 0.007 (3) | −0.009 (3) |
C11 | 0.038 (3) | 0.044 (3) | 0.037 (3) | −0.001 (2) | −0.001 (2) | 0.003 (2) |
C12 | 0.050 (3) | 0.062 (4) | 0.045 (3) | −0.002 (3) | 0.001 (3) | 0.006 (3) |
C13 | 0.057 (4) | 0.078 (4) | 0.073 (4) | −0.015 (3) | 0.012 (3) | 0.020 (4) |
C14 | 0.060 (4) | 0.071 (4) | 0.102 (6) | −0.028 (3) | −0.012 (4) | 0.014 (4) |
C15 | 0.080 (5) | 0.055 (4) | 0.081 (5) | −0.017 (3) | −0.011 (4) | −0.009 (3) |
C16 | 0.053 (3) | 0.052 (3) | 0.051 (3) | −0.009 (3) | −0.001 (3) | −0.007 (3) |
C17 | 0.047 (3) | 0.047 (3) | 0.032 (2) | 0.008 (2) | −0.008 (2) | −0.003 (2) |
C18 | 0.058 (3) | 0.046 (3) | 0.048 (3) | 0.007 (3) | −0.005 (3) | 0.002 (3) |
C19 | 0.094 (5) | 0.050 (4) | 0.054 (4) | 0.009 (3) | −0.013 (3) | 0.001 (3) |
C20 | 0.099 (6) | 0.070 (5) | 0.059 (4) | 0.040 (4) | −0.021 (4) | −0.009 (3) |
C21 | 0.067 (4) | 0.104 (6) | 0.064 (4) | 0.037 (4) | −0.006 (3) | −0.008 (4) |
C22 | 0.046 (3) | 0.070 (4) | 0.054 (3) | 0.013 (3) | −0.002 (3) | −0.009 (3) |
C23 | 0.112 (6) | 0.097 (6) | 0.057 (4) | −0.032 (5) | −0.016 (4) | −0.016 (4) |
C24 | 0.085 (5) | 0.080 (5) | 0.054 (4) | 0.013 (4) | −0.008 (3) | 0.012 (3) |
C25 | 0.081 (5) | 0.109 (6) | 0.109 (6) | 0.010 (5) | 0.006 (5) | −0.057 (5) |
C26 | 0.072 (4) | 0.056 (4) | 0.095 (5) | 0.028 (3) | 0.010 (4) | −0.001 (4) |
C27 | 0.102 (6) | 0.073 (5) | 0.071 (4) | −0.032 (4) | 0.004 (4) | −0.010 (4) |
C28 | 0.056 (4) | 0.072 (5) | 0.114 (6) | −0.013 (3) | 0.007 (4) | −0.023 (4) |
Cd1—N1 | 2.245 (4) | C7—H7 | 0.930 |
Cd1—N3 | 2.397 (4) | C8—C9 | 1.346 (11) |
Cd1—N4 | 2.255 (5) | C8—H8 | 0.930 |
Cd1—N5 | 2.314 (4) | C9—C10 | 1.397 (9) |
Cd1—N6 | 2.307 (5) | C9—H9 | 0.930 |
Cl1—C6 | 1.692 (6) | C10—H10 | 0.930 |
Cl1'—C12 | 1.788 (7) | C11—C16 | 1.377 (7) |
Cl2—O1 | 1.405 (4) | C11—C12 | 1.388 (7) |
Cl2—O3 | 1.413 (4) | C12—C13 | 1.383 (8) |
Cl2—O2 | 1.414 (5) | C12—H12 | 0.930 |
Cl2—O4 | 1.418 (6) | C13—C14 | 1.384 (9) |
Cl3—O8 | 1.369 (6) | C13—H13 | 0.930 |
Cl3—O6 | 1.387 (6) | C14—C15 | 1.354 (9) |
Cl3—O5 | 1.392 (7) | C14—H14 | 0.930 |
Cl3—O7 | 1.419 (6) | C15—C16 | 1.383 (8) |
N1—C1 | 1.317 (6) | C15—H15 | 0.930 |
N1—C3 | 1.378 (7) | C16—H16 | 0.930 |
N2—C1 | 1.348 (6) | C17—C18 | 1.374 (7) |
N2—C2 | 1.380 (6) | C17—C22 | 1.385 (7) |
N2—C4 | 1.507 (6) | C18—C19 | 1.382 (8) |
N3—C27 | 1.433 (7) | C18—H18 | 0.930 |
N3—C25 | 1.457 (8) | C19—C20 | 1.372 (9) |
N3—C23 | 1.518 (8) | C19—H19 | 0.930 |
N4—C24 | 1.432 (7) | C20—C21 | 1.361 (10) |
N4—H4A | 0.900 | C20—H20 | 0.930 |
N4—H4B | 0.900 | C21—C22 | 1.396 (9) |
N5—C26 | 1.457 (8) | C21—H21 | 0.930 |
N5—H5A | 0.900 | C22—H22 | 0.930 |
N5—H5B | 0.900 | C23—C24 | 1.434 (9) |
N6—C28 | 1.430 (8) | C23—H23A | 0.970 |
N6—H6A | 0.900 | C23—H23B | 0.970 |
N6—H6B | 0.900 | C24—H24A | 0.970 |
C1—H1 | 0.930 | C24—H24B | 0.970 |
C2—C3 | 1.339 (7) | C25—C26 | 1.480 (10) |
C2—H2 | 0.930 | C25—H25A | 0.970 |
C3—H3 | 0.930 | C25—H25B | 0.970 |
C4—C11 | 1.537 (7) | C26—H26A | 0.970 |
C4—C5 | 1.541 (6) | C26—H26B | 0.970 |
C4—C17 | 1.547 (7) | C27—C28 | 1.446 (9) |
C5—C10 | 1.380 (7) | C27—H27A | 0.970 |
C5—C6 | 1.384 (7) | C27—H27B | 0.970 |
C6—C7 | 1.375 (7) | C28—H28A | 0.970 |
C6—H6 | 0.930 | C28—H28B | 0.970 |
C7—C8 | 1.348 (10) | ||
N1—Cd1—N3 | 171.24 (15) | C8—C9—C10 | 121.9 (7) |
N1—Cd1—N4 | 106.07 (17) | C8—C9—H9 | 119.1 |
N1—Cd1—N5 | 95.90 (16) | C10—C9—H9 | 119.1 |
N1—Cd1—N6 | 110.45 (17) | C5—C10—C9 | 120.5 (6) |
N3—Cd1—N4 | 77.19 (17) | C5—C10—H10 | 119.7 |
N3—Cd1—N5 | 75.70 (16) | C9—C10—H10 | 119.7 |
N3—Cd1—N6 | 75.24 (17) | C16—C11—C12 | 117.2 (5) |
N4—Cd1—N5 | 123.29 (17) | C16—C11—C4 | 122.2 (4) |
N4—Cd1—N6 | 110.58 (18) | C12—C11—C4 | 120.6 (4) |
N5—Cd1—N6 | 109.14 (19) | C13—C12—C11 | 121.5 (5) |
O1—Cl2—O3 | 110.3 (3) | C13—C12—Cl1' | 115.7 (5) |
O1—Cl2—O2 | 109.4 (3) | C11—C12—Cl1' | 122.8 (4) |
O3—Cl2—O2 | 109.3 (3) | C13—C12—H12 | 119.3 |
O1—Cl2—O4 | 109.7 (3) | C11—C12—H12 | 119.3 |
O3—Cl2—O4 | 109.5 (3) | C12—C13—C14 | 119.8 (6) |
O2—Cl2—O4 | 108.8 (4) | C12—C13—H13 | 120.1 |
O8—Cl3—O6 | 109.4 (5) | C14—C13—H13 | 120.1 |
O8—Cl3—O5 | 117.1 (5) | C15—C14—C13 | 119.3 (6) |
O6—Cl3—O5 | 106.4 (5) | C15—C14—H14 | 120.3 |
O8—Cl3—O7 | 108.9 (5) | C13—C14—H14 | 120.3 |
O6—Cl3—O7 | 105.1 (4) | C14—C15—C16 | 120.7 (6) |
O5—Cl3—O7 | 109.2 (5) | C14—C15—H15 | 119.6 |
C1—N1—C3 | 105.7 (4) | C16—C15—H15 | 119.6 |
C1—N1—Cd1 | 123.4 (3) | C11—C16—C15 | 121.5 (5) |
C3—N1—Cd1 | 129.7 (3) | C11—C16—H16 | 119.3 |
C1—N2—C2 | 105.9 (4) | C15—C16—H16 | 119.3 |
C1—N2—C4 | 128.5 (4) | C18—C17—C22 | 118.3 (5) |
C2—N2—C4 | 125.5 (4) | C18—C17—C4 | 120.0 (5) |
C27—N3—C25 | 115.5 (6) | C22—C17—C4 | 121.7 (5) |
C27—N3—C23 | 110.7 (5) | C17—C18—C19 | 121.6 (6) |
C25—N3—C23 | 109.4 (6) | C17—C18—H18 | 119.2 |
C27—N3—Cd1 | 108.7 (4) | C19—C18—H18 | 119.2 |
C25—N3—Cd1 | 106.8 (4) | C20—C19—C18 | 119.8 (6) |
C23—N3—Cd1 | 105.1 (3) | C20—C19—H19 | 120.1 |
C24—N4—Cd1 | 110.0 (4) | C18—C19—H19 | 120.1 |
C24—N4—H4A | 109.7 | C21—C20—C19 | 119.5 (6) |
Cd1—N4—H4A | 109.7 | C21—C20—H20 | 120.2 |
C24—N4—H4B | 109.7 | C19—C20—H20 | 120.2 |
Cd1—N4—H4B | 109.7 | C20—C21—C22 | 121.0 (7) |
H4A—N4—H4B | 108.2 | C20—C21—H21 | 119.5 |
C26—N5—Cd1 | 111.9 (3) | C22—C21—H21 | 119.5 |
C26—N5—H5A | 109.2 | C17—C22—C21 | 119.7 (6) |
Cd1—N5—H5A | 109.2 | C17—C22—H22 | 120.2 |
C26—N5—H5B | 109.2 | C21—C22—H22 | 120.2 |
Cd1—N5—H5B | 109.2 | C24—C23—N3 | 114.8 (5) |
H5A—N5—H5B | 107.9 | C24—C23—H23A | 108.6 |
C28—N6—Cd1 | 111.6 (4) | N3—C23—H23A | 108.6 |
C28—N6—H6A | 109.3 | C24—C23—H23B | 108.6 |
Cd1—N6—H6A | 109.3 | N3—C23—H23B | 108.6 |
C28—N6—H6B | 109.3 | H23A—C23—H23B | 107.5 |
Cd1—N6—H6B | 109.3 | N4—C24—C23 | 114.8 (6) |
H6A—N6—H6B | 108.0 | N4—C24—H24A | 108.6 |
N1—C1—N2 | 111.8 (4) | C23—C24—H24A | 108.6 |
N1—C1—H1 | 124.1 | N4—C24—H24B | 108.6 |
N2—C1—H1 | 124.1 | C23—C24—H24B | 108.6 |
C3—C2—N2 | 107.4 (5) | H24A—C24—H24B | 107.5 |
C3—C2—H2 | 126.3 | N3—C25—C26 | 114.2 (6) |
N2—C2—H2 | 126.3 | N3—C25—H25A | 108.7 |
C2—C3—N1 | 109.3 (5) | C26—C25—H25A | 108.7 |
C2—C3—H3 | 125.3 | N3—C25—H25B | 108.7 |
N1—C3—H3 | 125.3 | C26—C25—H25B | 108.7 |
N2—C4—C11 | 105.6 (4) | H25A—C25—H25B | 107.6 |
N2—C4—C5 | 108.2 (4) | N5—C26—C25 | 114.7 (5) |
C11—C4—C5 | 113.2 (4) | N5—C26—H26A | 108.6 |
N2—C4—C17 | 108.0 (4) | C25—C26—H26A | 108.6 |
C11—C4—C17 | 113.0 (4) | N5—C26—H26B | 108.6 |
C5—C4—C17 | 108.6 (4) | C25—C26—H26B | 108.6 |
C10—C5—C6 | 115.9 (5) | H26A—C26—H26B | 107.6 |
C10—C5—C4 | 121.8 (5) | N3—C27—C28 | 116.9 (6) |
C6—C5—C4 | 122.3 (4) | N3—C27—H27A | 108.1 |
C7—C6—C5 | 122.3 (6) | C28—C27—H27A | 108.1 |
C7—C6—Cl1 | 113.5 (5) | N3—C27—H27B | 108.1 |
C5—C6—Cl1 | 124.2 (4) | C28—C27—H27B | 108.1 |
C7—C6—H6 | 118.8 | H27A—C27—H27B | 107.3 |
C5—C6—H6 | 118.8 | N6—C28—C27 | 116.5 (5) |
C8—C7—C6 | 120.9 (7) | N6—C28—H28A | 108.2 |
C8—C7—H7 | 119.5 | C27—C28—H28A | 108.2 |
C6—C7—H7 | 119.5 | N6—C28—H28B | 108.2 |
C9—C8—C7 | 118.4 (6) | C27—C28—H28B | 108.2 |
C9—C8—H8 | 120.8 | H28A—C28—H28B | 107.3 |
C7—C8—H8 | 120.8 |