Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806037111/lh2174sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806037111/lh2174Isup2.hkl |
CCDC reference: 624910
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); 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, 1998); software used to prepare material for publication: SHELXTL.
(C8H20N)[Cr(C9H5Cl2N2O)2Cl2] | F(000) = 1316 |
Mr = 638.35 | Dx = 1.481 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 1039 reflections |
a = 8.061 (5) Å | θ = 2.2–18.6° |
b = 22.874 (14) Å | µ = 0.81 mm−1 |
c = 15.653 (9) Å | T = 273 K |
β = 97.350 (12)° | Plate, red–brown |
V = 2863 (3) Å3 | 0.10 × 0.08 × 0.02 mm |
Z = 4 |
Bruker SMART-CCD diffractometer | 2638 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.130 |
Graphite monochromator | θmax = 26.0°, θmin = 1.8° |
φ and ω scans | h = −9→6 |
15736 measured reflections | k = −25→28 |
5586 independent reflections | l = −18→19 |
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)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.125 | H-atom parameters constrained |
S = 0.82 | w = 1/[σ2(Fo2) + (0.0456P)2] where P = (Fo2 + 2Fc2)/3 |
5586 reflections | (Δ/σ)max = 0.001 |
347 parameters | Δρmax = 0.59 e Å−3 |
0 restraints | Δρmin = −0.42 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 | ||
Cr1 | 0.07114 (9) | 0.29219 (3) | 0.58729 (5) | 0.0249 (2) | |
Cl1 | 0.0489 (2) | 0.42464 (6) | 0.97756 (9) | 0.0622 (5) | |
Cl2 | 0.41720 (19) | 0.45149 (6) | 0.93649 (9) | 0.0561 (4) | |
Cl3 | 0.18294 (13) | 0.20250 (5) | 0.63656 (7) | 0.0318 (3) | |
Cl4 | −0.05861 (14) | 0.37243 (5) | 0.51431 (8) | 0.0352 (3) | |
N1 | −0.1524 (4) | 0.24685 (16) | 0.5590 (2) | 0.0248 (9) | |
N2 | −0.0314 (4) | 0.30691 (16) | 0.6932 (2) | 0.0250 (9) | |
N3 | 0.2535 (4) | 0.33842 (16) | 0.6505 (2) | 0.0282 (10) | |
N4 | 0.2409 (4) | 0.29459 (16) | 0.4967 (2) | 0.0247 (9) | |
O1 | −0.2411 (4) | 0.27672 (16) | 0.7719 (2) | 0.0496 (10) | |
O2 | 0.5042 (4) | 0.38647 (15) | 0.6393 (2) | 0.0417 (9) | |
C1 | −0.2099 (5) | 0.2176 (2) | 0.4871 (3) | 0.0307 (12) | |
H1 | −0.1493 | 0.2193 | 0.4404 | 0.037* | |
C2 | −0.3558 (6) | 0.1850 (2) | 0.4795 (3) | 0.0338 (13) | |
H2 | −0.3917 | 0.1648 | 0.4289 | 0.041* | |
C3 | −0.4464 (6) | 0.1831 (2) | 0.5478 (3) | 0.0362 (13) | |
H3 | −0.5445 | 0.1613 | 0.5444 | 0.043* | |
C4 | −0.3903 (6) | 0.2137 (2) | 0.6213 (3) | 0.0352 (13) | |
H4 | −0.4524 | 0.2136 | 0.6675 | 0.042* | |
C5 | −0.2429 (6) | 0.2443 (2) | 0.6269 (3) | 0.0281 (11) | |
C6 | −0.1719 (6) | 0.2782 (2) | 0.7065 (3) | 0.0303 (12) | |
C7 | 0.0650 (6) | 0.34156 (19) | 0.7551 (3) | 0.0277 (11) | |
C8 | 0.0144 (6) | 0.36278 (19) | 0.8309 (3) | 0.0322 (12) | |
H8 | −0.0916 | 0.3541 | 0.8448 | 0.039* | |
C9 | 0.1224 (7) | 0.3968 (2) | 0.8855 (3) | 0.0380 (14) | |
C10 | 0.2802 (7) | 0.4096 (2) | 0.8671 (3) | 0.0351 (13) | |
C11 | 0.3313 (6) | 0.3907 (2) | 0.7896 (3) | 0.0330 (12) | |
H11 | 0.4376 | 0.4000 | 0.7766 | 0.040* | |
C12 | 0.2229 (6) | 0.35802 (19) | 0.7319 (3) | 0.0270 (12) | |
C13 | 0.3876 (6) | 0.3537 (2) | 0.6116 (3) | 0.0303 (12) | |
C14 | 0.3800 (6) | 0.3268 (2) | 0.5243 (3) | 0.0285 (12) | |
C15 | 0.5057 (6) | 0.3344 (2) | 0.4730 (3) | 0.0318 (12) | |
H15 | 0.5993 | 0.3567 | 0.4927 | 0.038* | |
C16 | 0.4920 (6) | 0.3090 (2) | 0.3928 (3) | 0.0404 (14) | |
H16 | 0.5771 | 0.3133 | 0.3584 | 0.048* | |
C17 | 0.3497 (6) | 0.2770 (2) | 0.3639 (3) | 0.0354 (13) | |
H17 | 0.3365 | 0.2600 | 0.3095 | 0.043* | |
C18 | 0.2288 (6) | 0.2713 (2) | 0.4177 (3) | 0.0333 (13) | |
H18 | 0.1332 | 0.2500 | 0.3982 | 0.040* | |
N5 | 0.1047 (5) | 0.03507 (17) | 0.7943 (3) | 0.0354 (11) | |
C51 | 0.0040 (6) | 0.0862 (2) | 0.7548 (4) | 0.0460 (15) | |
H51A | 0.0806 | 0.1151 | 0.7370 | 0.055* | |
H51B | −0.0539 | 0.1039 | 0.7989 | 0.055* | |
C52 | −0.1234 (7) | 0.0716 (3) | 0.6783 (4) | 0.0636 (18) | |
H52A | −0.0714 | 0.0486 | 0.6378 | 0.095* | |
H52B | −0.1662 | 0.1071 | 0.6512 | 0.095* | |
H52C | −0.2136 | 0.0498 | 0.6973 | 0.095* | |
C53 | −0.0064 (6) | −0.0148 (2) | 0.8156 (3) | 0.0396 (14) | |
H53A | −0.0616 | −0.0310 | 0.7622 | 0.047* | |
H53B | 0.0637 | −0.0453 | 0.8443 | 0.047* | |
C54 | −0.1383 (6) | 0.0014 (2) | 0.8720 (3) | 0.0475 (15) | |
H54A | −0.0853 | 0.0168 | 0.9257 | 0.071* | |
H54B | −0.2018 | −0.0328 | 0.8827 | 0.071* | |
H54C | −0.2116 | 0.0303 | 0.8433 | 0.071* | |
C55 | 0.2201 (6) | 0.0104 (2) | 0.7326 (3) | 0.0470 (15) | |
H55A | 0.2771 | −0.0237 | 0.7591 | 0.056* | |
H55B | 0.1520 | −0.0026 | 0.6805 | 0.056* | |
C56 | 0.3509 (7) | 0.0531 (3) | 0.7079 (4) | 0.0651 (19) | |
H56A | 0.2969 | 0.0884 | 0.6859 | 0.098* | |
H56B | 0.4092 | 0.0358 | 0.6644 | 0.098* | |
H56C | 0.4291 | 0.0620 | 0.7577 | 0.098* | |
C57 | 0.2076 (6) | 0.0581 (2) | 0.8755 (3) | 0.0388 (13) | |
H57A | 0.2720 | 0.0915 | 0.8601 | 0.047* | |
H57B | 0.1316 | 0.0720 | 0.9143 | 0.047* | |
C58 | 0.3268 (6) | 0.0145 (3) | 0.9235 (4) | 0.0547 (16) | |
H58A | 0.2658 | −0.0197 | 0.9366 | 0.082* | |
H58B | 0.3789 | 0.0319 | 0.9761 | 0.082* | |
H58C | 0.4110 | 0.0038 | 0.8883 | 0.082* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cr1 | 0.0255 (5) | 0.0294 (5) | 0.0201 (4) | −0.0034 (4) | 0.0043 (3) | −0.0012 (4) |
Cl1 | 0.1076 (14) | 0.0514 (10) | 0.0302 (9) | −0.0078 (9) | 0.0192 (8) | −0.0136 (7) |
Cl2 | 0.0860 (12) | 0.0409 (9) | 0.0350 (9) | −0.0148 (8) | −0.0170 (8) | −0.0075 (7) |
Cl3 | 0.0287 (7) | 0.0331 (7) | 0.0338 (7) | 0.0005 (5) | 0.0045 (6) | 0.0056 (6) |
Cl4 | 0.0345 (8) | 0.0339 (7) | 0.0376 (8) | 0.0004 (6) | 0.0067 (6) | 0.0060 (6) |
N1 | 0.024 (2) | 0.027 (2) | 0.024 (2) | −0.0002 (17) | 0.0052 (18) | −0.0018 (18) |
N2 | 0.026 (2) | 0.033 (2) | 0.016 (2) | −0.0032 (18) | 0.0034 (18) | −0.0042 (18) |
N3 | 0.034 (3) | 0.028 (2) | 0.023 (2) | −0.0016 (18) | 0.0064 (19) | 0.0024 (18) |
N4 | 0.026 (2) | 0.025 (2) | 0.022 (2) | −0.0022 (18) | 0.0011 (18) | 0.0006 (18) |
O1 | 0.053 (2) | 0.073 (3) | 0.026 (2) | −0.0180 (19) | 0.0180 (18) | −0.0053 (19) |
O2 | 0.032 (2) | 0.052 (2) | 0.041 (2) | −0.0203 (18) | 0.0031 (17) | −0.0109 (19) |
C1 | 0.029 (3) | 0.036 (3) | 0.029 (3) | −0.004 (2) | 0.007 (2) | −0.005 (2) |
C2 | 0.028 (3) | 0.036 (3) | 0.037 (3) | 0.001 (2) | 0.001 (3) | −0.009 (2) |
C3 | 0.024 (3) | 0.037 (3) | 0.047 (4) | −0.007 (2) | −0.001 (3) | −0.003 (3) |
C4 | 0.028 (3) | 0.049 (4) | 0.030 (3) | −0.003 (3) | 0.013 (2) | 0.002 (3) |
C5 | 0.027 (3) | 0.031 (3) | 0.027 (3) | −0.001 (2) | 0.004 (2) | 0.002 (2) |
C6 | 0.029 (3) | 0.036 (3) | 0.027 (3) | −0.004 (2) | 0.007 (2) | 0.001 (2) |
C7 | 0.035 (3) | 0.022 (3) | 0.025 (3) | 0.002 (2) | 0.000 (2) | 0.002 (2) |
C8 | 0.051 (3) | 0.023 (3) | 0.025 (3) | 0.005 (2) | 0.011 (3) | 0.004 (2) |
C9 | 0.067 (4) | 0.030 (3) | 0.016 (3) | 0.002 (3) | 0.005 (3) | −0.002 (2) |
C10 | 0.055 (4) | 0.023 (3) | 0.022 (3) | −0.001 (2) | −0.014 (3) | −0.004 (2) |
C11 | 0.038 (3) | 0.028 (3) | 0.030 (3) | −0.004 (2) | −0.004 (3) | −0.001 (2) |
C12 | 0.029 (3) | 0.023 (3) | 0.029 (3) | 0.001 (2) | 0.002 (2) | 0.001 (2) |
C13 | 0.029 (3) | 0.029 (3) | 0.031 (3) | 0.002 (2) | −0.002 (3) | 0.004 (2) |
C14 | 0.026 (3) | 0.031 (3) | 0.028 (3) | 0.002 (2) | 0.003 (2) | 0.008 (2) |
C15 | 0.020 (3) | 0.037 (3) | 0.037 (3) | 0.002 (2) | 0.002 (2) | 0.006 (3) |
C16 | 0.045 (4) | 0.048 (4) | 0.032 (3) | 0.006 (3) | 0.018 (3) | 0.011 (3) |
C17 | 0.042 (4) | 0.044 (3) | 0.022 (3) | 0.005 (3) | 0.010 (3) | −0.002 (2) |
C18 | 0.032 (3) | 0.038 (3) | 0.029 (3) | −0.004 (2) | 0.002 (3) | −0.005 (2) |
N5 | 0.040 (3) | 0.030 (3) | 0.037 (3) | −0.001 (2) | 0.011 (2) | −0.002 (2) |
C51 | 0.052 (4) | 0.032 (3) | 0.057 (4) | 0.008 (3) | 0.017 (3) | 0.011 (3) |
C52 | 0.064 (5) | 0.077 (5) | 0.048 (4) | 0.013 (3) | 0.001 (3) | 0.020 (3) |
C53 | 0.056 (4) | 0.024 (3) | 0.038 (3) | −0.009 (2) | 0.006 (3) | −0.001 (2) |
C54 | 0.050 (4) | 0.049 (4) | 0.045 (4) | −0.012 (3) | 0.012 (3) | 0.001 (3) |
C55 | 0.055 (4) | 0.053 (4) | 0.037 (4) | 0.010 (3) | 0.021 (3) | −0.006 (3) |
C56 | 0.070 (5) | 0.071 (5) | 0.061 (5) | 0.003 (3) | 0.036 (4) | 0.004 (4) |
C57 | 0.036 (3) | 0.036 (3) | 0.043 (4) | −0.002 (2) | 0.002 (3) | −0.006 (3) |
C58 | 0.045 (4) | 0.071 (5) | 0.046 (4) | −0.001 (3) | −0.002 (3) | 0.001 (3) |
Cr1—N3 | 1.971 (4) | C14—C15 | 1.382 (6) |
Cr1—N2 | 1.973 (3) | C15—C16 | 1.375 (6) |
Cr1—N1 | 2.077 (4) | C15—H15 | 0.9300 |
Cr1—N4 | 2.093 (3) | C16—C17 | 1.387 (6) |
Cr1—Cl3 | 2.3318 (18) | C16—H16 | 0.9300 |
Cr1—Cl4 | 2.3372 (17) | C17—C18 | 1.374 (6) |
Cl1—C9 | 1.746 (5) | C17—H17 | 0.9300 |
Cl2—C10 | 1.736 (5) | C18—H18 | 0.9300 |
N1—C1 | 1.340 (5) | N5—C51 | 1.509 (6) |
N1—C5 | 1.364 (5) | N5—C53 | 1.514 (5) |
N2—C6 | 1.349 (5) | N5—C57 | 1.521 (6) |
N2—C7 | 1.406 (5) | N5—C55 | 1.532 (6) |
N3—C13 | 1.352 (5) | C51—C52 | 1.511 (7) |
N3—C12 | 1.402 (5) | C51—H51A | 0.9700 |
N4—C18 | 1.339 (5) | C51—H51B | 0.9700 |
N4—C14 | 1.364 (5) | C52—H52A | 0.9600 |
O1—C6 | 1.227 (5) | C52—H52B | 0.9600 |
O2—C13 | 1.237 (5) | C52—H52C | 0.9600 |
C1—C2 | 1.385 (6) | C53—C54 | 1.512 (6) |
C1—H1 | 0.9300 | C53—H53A | 0.9700 |
C2—C3 | 1.370 (6) | C53—H53B | 0.9700 |
C2—H2 | 0.9300 | C54—H54A | 0.9600 |
C3—C4 | 1.373 (6) | C54—H54B | 0.9600 |
C3—H3 | 0.9300 | C54—H54C | 0.9600 |
C4—C5 | 1.373 (6) | C55—C56 | 1.523 (7) |
C4—H4 | 0.9300 | C55—H55A | 0.9700 |
C5—C6 | 1.516 (6) | C55—H55B | 0.9700 |
C7—C8 | 1.391 (6) | C56—H56A | 0.9600 |
C7—C12 | 1.418 (6) | C56—H56B | 0.9600 |
C8—C9 | 1.380 (6) | C56—H56C | 0.9600 |
C8—H8 | 0.9300 | C57—C58 | 1.515 (7) |
C9—C10 | 1.371 (6) | C57—H57A | 0.9700 |
C10—C11 | 1.398 (6) | C57—H57B | 0.9700 |
C11—C12 | 1.391 (6) | C58—H58A | 0.9600 |
C11—H11 | 0.9300 | C58—H58B | 0.9600 |
C13—C14 | 1.494 (6) | C58—H58C | 0.9600 |
N3—Cr1—N2 | 81.50 (15) | C15—C14—C13 | 122.2 (4) |
N3—Cr1—N1 | 161.01 (15) | C16—C15—C14 | 119.8 (5) |
N2—Cr1—N1 | 79.57 (15) | C16—C15—H15 | 120.1 |
N3—Cr1—N4 | 79.39 (15) | C14—C15—H15 | 120.1 |
N2—Cr1—N4 | 160.85 (15) | C15—C16—C17 | 119.2 (4) |
N1—Cr1—N4 | 119.57 (15) | C15—C16—H16 | 120.4 |
N3—Cr1—Cl3 | 94.25 (12) | C17—C16—H16 | 120.4 |
N2—Cr1—Cl3 | 93.33 (12) | C18—C17—C16 | 118.1 (5) |
N1—Cr1—Cl3 | 85.37 (11) | C18—C17—H17 | 120.9 |
N4—Cr1—Cl3 | 89.35 (11) | C16—C17—H17 | 120.9 |
N3—Cr1—Cl4 | 94.72 (12) | N4—C18—C17 | 123.7 (5) |
N2—Cr1—Cl4 | 93.85 (12) | N4—C18—H18 | 118.1 |
N1—Cr1—Cl4 | 88.06 (11) | C17—C18—H18 | 118.1 |
N4—Cr1—Cl4 | 86.49 (11) | C51—N5—C53 | 111.8 (4) |
Cl3—Cr1—Cl4 | 169.24 (5) | C51—N5—C57 | 106.3 (4) |
C1—N1—C5 | 118.1 (4) | C53—N5—C57 | 110.6 (4) |
C1—N1—Cr1 | 128.7 (3) | C51—N5—C55 | 111.5 (4) |
C5—N1—Cr1 | 113.0 (3) | C53—N5—C55 | 106.6 (4) |
C6—N2—C7 | 124.7 (4) | C57—N5—C55 | 110.2 (4) |
C6—N2—Cr1 | 119.8 (3) | N5—C51—C52 | 115.4 (4) |
C7—N2—Cr1 | 114.9 (3) | N5—C51—H51A | 108.4 |
C13—N3—C12 | 124.8 (4) | C52—C51—H51A | 108.4 |
C13—N3—Cr1 | 120.0 (3) | N5—C51—H51B | 108.4 |
C12—N3—Cr1 | 114.9 (3) | C52—C51—H51B | 108.4 |
C18—N4—C14 | 117.8 (4) | H51A—C51—H51B | 107.5 |
C18—N4—Cr1 | 129.7 (3) | C51—C52—H52A | 109.5 |
C14—N4—Cr1 | 112.5 (3) | C51—C52—H52B | 109.5 |
N1—C1—C2 | 122.7 (4) | H52A—C52—H52B | 109.5 |
N1—C1—H1 | 118.7 | C51—C52—H52C | 109.5 |
C2—C1—H1 | 118.7 | H52A—C52—H52C | 109.5 |
C3—C2—C1 | 118.8 (5) | H52B—C52—H52C | 109.5 |
C3—C2—H2 | 120.6 | C54—C53—N5 | 115.1 (4) |
C1—C2—H2 | 120.6 | C54—C53—H53A | 108.5 |
C2—C3—C4 | 119.1 (4) | N5—C53—H53A | 108.5 |
C2—C3—H3 | 120.4 | C54—C53—H53B | 108.5 |
C4—C3—H3 | 120.4 | N5—C53—H53B | 108.5 |
C5—C4—C3 | 120.1 (4) | H53A—C53—H53B | 107.5 |
C5—C4—H4 | 119.9 | C53—C54—H54A | 109.5 |
C3—C4—H4 | 119.9 | C53—C54—H54B | 109.5 |
N1—C5—C4 | 121.2 (4) | H54A—C54—H54B | 109.5 |
N1—C5—C6 | 115.8 (4) | C53—C54—H54C | 109.5 |
C4—C5—C6 | 123.0 (4) | H54A—C54—H54C | 109.5 |
O1—C6—N2 | 128.5 (5) | H54B—C54—H54C | 109.5 |
O1—C6—C5 | 120.6 (4) | C56—C55—N5 | 114.8 (4) |
N2—C6—C5 | 111.0 (4) | C56—C55—H55A | 108.6 |
C8—C7—N2 | 126.0 (4) | N5—C55—H55A | 108.6 |
C8—C7—C12 | 119.8 (4) | C56—C55—H55B | 108.6 |
N2—C7—C12 | 114.1 (4) | N5—C55—H55B | 108.6 |
C9—C8—C7 | 119.7 (5) | H55A—C55—H55B | 107.5 |
C9—C8—H8 | 120.2 | C55—C56—H56A | 109.5 |
C7—C8—H8 | 120.2 | C55—C56—H56B | 109.5 |
C10—C9—C8 | 121.2 (4) | H56A—C56—H56B | 109.5 |
C10—C9—Cl1 | 121.2 (4) | C55—C56—H56C | 109.5 |
C8—C9—Cl1 | 117.6 (4) | H56A—C56—H56C | 109.5 |
C9—C10—C11 | 120.1 (4) | H56B—C56—H56C | 109.5 |
C9—C10—Cl2 | 121.3 (4) | C58—C57—N5 | 115.4 (4) |
C11—C10—Cl2 | 118.6 (4) | C58—C57—H57A | 108.4 |
C12—C11—C10 | 119.9 (5) | N5—C57—H57A | 108.4 |
C12—C11—H11 | 120.1 | C58—C57—H57B | 108.4 |
C10—C11—H11 | 120.1 | N5—C57—H57B | 108.4 |
C11—C12—N3 | 126.4 (4) | H57A—C57—H57B | 107.5 |
C11—C12—C7 | 119.1 (4) | C57—C58—H58A | 109.5 |
N3—C12—C7 | 114.5 (4) | C57—C58—H58B | 109.5 |
O2—C13—N3 | 127.9 (5) | H58A—C58—H58B | 109.5 |
O2—C13—C14 | 120.7 (4) | C57—C58—H58C | 109.5 |
N3—C13—C14 | 111.4 (4) | H58A—C58—H58C | 109.5 |
N4—C14—C15 | 121.2 (4) | H58B—C58—H58C | 109.5 |
N4—C14—C13 | 116.6 (4) | ||
N3—Cr1—N1—C1 | −177.1 (4) | N1—C5—C6—N2 | 2.3 (6) |
N2—Cr1—N1—C1 | 178.2 (4) | C4—C5—C6—N2 | −176.5 (4) |
N4—Cr1—N1—C1 | −0.9 (4) | C6—N2—C7—C8 | −15.7 (7) |
Cl3—Cr1—N1—C1 | −87.5 (4) | Cr1—N2—C7—C8 | 173.4 (4) |
Cl4—Cr1—N1—C1 | 84.0 (4) | C6—N2—C7—C12 | 168.5 (4) |
N3—Cr1—N1—C5 | −2.2 (6) | Cr1—N2—C7—C12 | −2.4 (5) |
N2—Cr1—N1—C5 | −6.8 (3) | N2—C7—C8—C9 | −179.4 (4) |
N4—Cr1—N1—C5 | 174.0 (3) | C12—C7—C8—C9 | −3.9 (7) |
Cl3—Cr1—N1—C5 | 87.4 (3) | C7—C8—C9—C10 | −1.0 (7) |
Cl4—Cr1—N1—C5 | −101.1 (3) | C7—C8—C9—Cl1 | 177.5 (4) |
N3—Cr1—N2—C6 | −169.6 (4) | C8—C9—C10—C11 | 3.6 (7) |
N1—Cr1—N2—C6 | 8.9 (3) | Cl1—C9—C10—C11 | −174.8 (4) |
N4—Cr1—N2—C6 | −173.4 (4) | C8—C9—C10—Cl2 | −179.0 (4) |
Cl3—Cr1—N2—C6 | −75.8 (3) | Cl1—C9—C10—Cl2 | 2.6 (6) |
Cl4—Cr1—N2—C6 | 96.2 (3) | C9—C10—C11—C12 | −1.3 (7) |
N3—Cr1—N2—C7 | 1.7 (3) | Cl2—C10—C11—C12 | −178.8 (4) |
N1—Cr1—N2—C7 | −179.8 (3) | C10—C11—C12—N3 | 176.9 (4) |
N4—Cr1—N2—C7 | −2.1 (7) | C10—C11—C12—C7 | −3.5 (7) |
Cl3—Cr1—N2—C7 | 95.5 (3) | C13—N3—C12—C11 | −7.3 (7) |
Cl4—Cr1—N2—C7 | −92.5 (3) | Cr1—N3—C12—C11 | 179.3 (4) |
N2—Cr1—N3—C13 | −174.5 (4) | C13—N3—C12—C7 | 173.1 (4) |
N1—Cr1—N3—C13 | −179.1 (4) | Cr1—N3—C12—C7 | −0.3 (5) |
N4—Cr1—N3—C13 | 4.2 (3) | C8—C7—C12—C11 | 6.1 (7) |
Cl3—Cr1—N3—C13 | 92.7 (3) | N2—C7—C12—C11 | −177.9 (4) |
Cl4—Cr1—N3—C13 | −81.3 (3) | C8—C7—C12—N3 | −174.3 (4) |
N2—Cr1—N3—C12 | −0.8 (3) | N2—C7—C12—N3 | 1.8 (6) |
N1—Cr1—N3—C12 | −5.4 (6) | C12—N3—C13—O2 | 0.0 (8) |
N4—Cr1—N3—C12 | 178.0 (3) | Cr1—N3—C13—O2 | 173.1 (4) |
Cl3—Cr1—N3—C12 | −93.5 (3) | C12—N3—C13—C14 | −178.1 (4) |
Cl4—Cr1—N3—C12 | 92.4 (3) | Cr1—N3—C13—C14 | −5.0 (5) |
N3—Cr1—N4—C18 | −179.9 (4) | C18—N4—C14—C15 | −1.0 (7) |
N2—Cr1—N4—C18 | −176.0 (4) | Cr1—N4—C14—C15 | −179.0 (3) |
N1—Cr1—N4—C18 | 1.4 (4) | C18—N4—C14—C13 | 178.3 (4) |
Cl3—Cr1—N4—C18 | 85.7 (4) | Cr1—N4—C14—C13 | 0.4 (5) |
Cl4—Cr1—N4—C18 | −84.4 (4) | O2—C13—C14—N4 | −175.5 (4) |
N3—Cr1—N4—C14 | −2.3 (3) | N3—C13—C14—N4 | 2.8 (6) |
N2—Cr1—N4—C14 | 1.6 (6) | O2—C13—C14—C15 | 3.8 (7) |
N1—Cr1—N4—C14 | 179.0 (3) | N3—C13—C14—C15 | −177.9 (4) |
Cl3—Cr1—N4—C14 | −96.7 (3) | N4—C14—C15—C16 | −0.3 (7) |
Cl4—Cr1—N4—C14 | 93.2 (3) | C13—C14—C15—C16 | −179.6 (4) |
C5—N1—C1—C2 | −0.3 (7) | C14—C15—C16—C17 | 1.4 (7) |
Cr1—N1—C1—C2 | 174.4 (3) | C15—C16—C17—C18 | −1.1 (7) |
N1—C1—C2—C3 | 0.8 (7) | C14—N4—C18—C17 | 1.4 (7) |
C1—C2—C3—C4 | 0.3 (7) | Cr1—N4—C18—C17 | 178.9 (4) |
C2—C3—C4—C5 | −1.9 (7) | C16—C17—C18—N4 | −0.3 (7) |
C1—N1—C5—C4 | −1.3 (7) | C53—N5—C51—C52 | −52.4 (6) |
Cr1—N1—C5—C4 | −176.8 (4) | C57—N5—C51—C52 | −173.2 (4) |
C1—N1—C5—C6 | 180.0 (4) | C55—N5—C51—C52 | 66.7 (5) |
Cr1—N1—C5—C6 | 4.4 (5) | C51—N5—C53—C54 | −54.4 (6) |
C3—C4—C5—N1 | 2.4 (7) | C57—N5—C53—C54 | 63.9 (5) |
C3—C4—C5—C6 | −178.9 (5) | C55—N5—C53—C54 | −176.4 (4) |
C7—N2—C6—O1 | 0.4 (8) | C51—N5—C55—C56 | 61.7 (6) |
Cr1—N2—C6—O1 | 170.8 (4) | C53—N5—C55—C56 | −176.1 (5) |
C7—N2—C6—C5 | −179.1 (4) | C57—N5—C55—C56 | −56.1 (6) |
Cr1—N2—C6—C5 | −8.7 (5) | C51—N5—C57—C58 | −176.8 (4) |
N1—C5—C6—O1 | −177.3 (4) | C53—N5—C57—C58 | 61.7 (5) |
C4—C5—C6—O1 | 4.0 (7) | C55—N5—C57—C58 | −55.9 (5) |