| Literature DB >> 21578607 |
Stephan Peitz1, Normen Peulecke, Bernd H Müller, Anke Spannenberg, Uwe Rosenthal.
Abstract
In the mol-ecular structure of the title compound, [Cr(2)Cl(4)(C(26)H(36)N(2))(2)(C(4)H(8)O)]·4.5CH(2)Cl(2), the two Cr(II) centers are bridged by three Cl atoms, forming a dinuclear complex. Each Cr(II) center is coordinated by one chelating bis-(2,6-diisopropyl-phen-yl)ethane-1,2-diimine ligand via both N atoms. An additional chloride ion binds to one chromium center, whereas an additional tetra-hydro-furan mol-ecule coordinates to the second Cr(II) center. The coordination geometry at each Cr(II) center can be best described as distorted octa-hedral.Entities:
Year: 2009 PMID: 21578607 PMCID: PMC2972152 DOI: 10.1107/S1600536809047266
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Cr2Cl4(C26H36N2)2(C4H8O)]·4.5CH2Cl2 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 13579 reflections |
| θ = 1.5–27.1° | |
| µ = 0.80 mm−1 | |
| β = 105.160 (2)° | Prism, dark-green |
| 0.50 × 0.50 × 0.37 mm | |
| STOE IPDS II diffractometer | 13785 independent reflections |
| Radiation source: fine-focus sealed tube | 9450 reflections with |
| graphite | |
| ω scans | θmax = 25.5°, θmin = 1.5° |
| Absorption correction: numerical ( | |
| 94968 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 13785 reflections | (Δ/σ)max = 0.001 |
| 747 parameters | Δρmax = 0.84 e Å−3 |
| 20 restraints | Δρmin = −0.57 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 |
| Occ. (<1) | |||||
| C1 | 0.11225 (16) | 0.80860 (18) | 0.29570 (11) | 0.0283 (6) | |
| H1A | 0.0823 | 0.8593 | 0.2863 | 0.034* | |
| C2 | 0.10700 (16) | 0.75849 (18) | 0.33679 (12) | 0.0287 (6) | |
| H2A | 0.0728 | 0.7726 | 0.3565 | 0.034* | |
| C3 | 0.15377 (16) | 0.81698 (18) | 0.21974 (12) | 0.0300 (7) | |
| C4 | 0.09725 (17) | 0.78284 (19) | 0.17878 (12) | 0.0333 (7) | |
| C5 | 0.0907 (2) | 0.8165 (2) | 0.13071 (14) | 0.0444 (8) | |
| H5A | 0.0531 | 0.7938 | 0.1028 | 0.053* | |
| C6 | 0.13718 (19) | 0.8819 (2) | 0.12255 (14) | 0.0517 (10) | |
| H6A | 0.1318 | 0.9039 | 0.0893 | 0.062* | |
| C7 | 0.1914 (2) | 0.9151 (2) | 0.16265 (15) | 0.0494 (9) | |
| H7A | 0.2232 | 0.9606 | 0.1567 | 0.059* | |
| C8 | 0.20147 (18) | 0.8845 (2) | 0.21175 (13) | 0.0376 (8) | |
| C9 | 0.26128 (19) | 0.9252 (2) | 0.25446 (16) | 0.0487 (9) | |
| H9A | 0.2617 | 0.8930 | 0.2863 | 0.058* | |
| C10 | 0.3407 (2) | 0.9179 (3) | 0.2458 (2) | 0.0756 (16) | |
| H10A | 0.3523 | 0.8567 | 0.2414 | 0.113* | |
| H10B | 0.3783 | 0.9418 | 0.2751 | 0.113* | |
| H10C | 0.3423 | 0.9504 | 0.2153 | 0.113* | |
| C11 | 0.2431 (2) | 1.0204 (3) | 0.26245 (18) | 0.0624 (11) | |
| H11A | 0.1929 | 1.0244 | 0.2689 | 0.094* | |
| H11B | 0.2433 | 1.0539 | 0.2320 | 0.094* | |
| H11C | 0.2814 | 1.0439 | 0.2915 | 0.094* | |
| C12 | 0.04300 (17) | 0.71206 (19) | 0.18585 (13) | 0.0359 (7) | |
| H12A | 0.0628 | 0.6881 | 0.2208 | 0.043* | |
| C13 | 0.0397 (2) | 0.6368 (2) | 0.14810 (15) | 0.0544 (10) | |
| H13A | 0.0911 | 0.6147 | 0.1513 | 0.082* | |
| H13B | 0.0182 | 0.6578 | 0.1134 | 0.082* | |
| H13C | 0.0078 | 0.5902 | 0.1556 | 0.082* | |
| C14 | −0.03609 (19) | 0.7484 (2) | 0.18194 (16) | 0.0532 (10) | |
| H14A | −0.0325 | 0.7963 | 0.2061 | 0.080* | |
| H14B | −0.0684 | 0.7026 | 0.1898 | 0.080* | |
| H14C | −0.0581 | 0.7697 | 0.1474 | 0.080* | |
| C15 | 0.13473 (16) | 0.61857 (18) | 0.37644 (12) | 0.0291 (6) | |
| C16 | 0.07189 (17) | 0.56534 (19) | 0.35457 (12) | 0.0329 (7) | |
| C17 | 0.0601 (2) | 0.4920 (2) | 0.38173 (15) | 0.0482 (9) | |
| H17A | 0.0186 | 0.4546 | 0.3676 | 0.058* | |
| C18 | 0.1076 (3) | 0.4733 (3) | 0.42855 (16) | 0.0586 (11) | |
| H18A | 0.0995 | 0.4222 | 0.4459 | 0.070* | |
| C19 | 0.1666 (2) | 0.5273 (2) | 0.45041 (14) | 0.0506 (9) | |
| H19A | 0.1980 | 0.5139 | 0.4831 | 0.061* | |
| C20 | 0.18147 (18) | 0.6019 (2) | 0.42554 (12) | 0.0362 (7) | |
| C21 | 0.24305 (19) | 0.6649 (2) | 0.45129 (12) | 0.0403 (8) | |
| H21A | 0.2649 | 0.6904 | 0.4245 | 0.048* | |
| C22 | 0.2082 (2) | 0.7392 (3) | 0.47484 (15) | 0.0583 (11) | |
| H22A | 0.1667 | 0.7655 | 0.4489 | 0.087* | |
| H22B | 0.2471 | 0.7832 | 0.4882 | 0.087* | |
| H22C | 0.1886 | 0.7166 | 0.5025 | 0.087* | |
| C23 | 0.3083 (2) | 0.6230 (3) | 0.49129 (15) | 0.0630 (11) | |
| H23A | 0.3303 | 0.5758 | 0.4757 | 0.095* | |
| H23B | 0.2889 | 0.5997 | 0.5189 | 0.095* | |
| H23C | 0.3473 | 0.6667 | 0.5049 | 0.095* | |
| C24 | 0.01653 (17) | 0.5850 (2) | 0.30430 (13) | 0.0351 (7) | |
| H24A | 0.0403 | 0.6285 | 0.2861 | 0.042* | |
| C25 | −0.0048 (2) | 0.5050 (2) | 0.27030 (15) | 0.0464 (9) | |
| H25A | 0.0413 | 0.4790 | 0.2646 | 0.070* | |
| H25B | −0.0389 | 0.5222 | 0.2377 | 0.070* | |
| H25C | −0.0304 | 0.4626 | 0.2869 | 0.070* | |
| C26 | −0.0562 (2) | 0.6249 (2) | 0.31290 (16) | 0.0497 (9) | |
| H26A | −0.0433 | 0.6765 | 0.3343 | 0.075* | |
| H26B | −0.0814 | 0.5823 | 0.3297 | 0.075* | |
| H26C | −0.0905 | 0.6412 | 0.2802 | 0.075* | |
| C27 | 0.37043 (16) | 0.46030 (18) | 0.20108 (11) | 0.0283 (6) | |
| H27A | 0.3743 | 0.4304 | 0.1714 | 0.034* | |
| C28 | 0.43204 (16) | 0.46895 (18) | 0.24300 (11) | 0.0285 (6) | |
| H28A | 0.4803 | 0.4457 | 0.2433 | 0.034* | |
| C29 | 0.24730 (16) | 0.50720 (19) | 0.15721 (11) | 0.0283 (6) | |
| C30 | 0.25609 (18) | 0.5725 (2) | 0.12378 (12) | 0.0344 (7) | |
| C31 | 0.2010 (2) | 0.5803 (2) | 0.07764 (13) | 0.0460 (9) | |
| H31A | 0.2062 | 0.6245 | 0.0545 | 0.055* | |
| C32 | 0.1394 (2) | 0.5258 (2) | 0.06487 (13) | 0.0516 (9) | |
| H32A | 0.1025 | 0.5325 | 0.0333 | 0.062* | |
| C33 | 0.13153 (19) | 0.4614 (2) | 0.09806 (13) | 0.0430 (8) | |
| H33A | 0.0892 | 0.4233 | 0.0889 | 0.052* | |
| C34 | 0.18444 (17) | 0.45078 (19) | 0.14485 (12) | 0.0329 (7) | |
| C35 | 0.17501 (18) | 0.3773 (2) | 0.17941 (13) | 0.0355 (7) | |
| H35A | 0.2073 | 0.3905 | 0.2142 | 0.043* | |
| C36 | 0.2038 (2) | 0.2920 (2) | 0.16180 (15) | 0.0502 (9) | |
| H36A | 0.2564 | 0.2994 | 0.1602 | 0.075* | |
| H36B | 0.1720 | 0.2767 | 0.1281 | 0.075* | |
| H36C | 0.2012 | 0.2457 | 0.1859 | 0.075* | |
| C37 | 0.09336 (19) | 0.3675 (2) | 0.18277 (15) | 0.0458 (9) | |
| H37A | 0.0761 | 0.4223 | 0.1942 | 0.069* | |
| H37B | 0.0908 | 0.3214 | 0.2070 | 0.069* | |
| H37C | 0.0607 | 0.3524 | 0.1493 | 0.069* | |
| C38 | 0.32372 (18) | 0.6347 (2) | 0.13481 (13) | 0.0368 (7) | |
| H38A | 0.3536 | 0.6250 | 0.1707 | 0.044* | |
| C39 | 0.3758 (2) | 0.6154 (3) | 0.10037 (16) | 0.0577 (10) | |
| H39A | 0.4188 | 0.6559 | 0.1082 | 0.086* | |
| H39B | 0.3473 | 0.6223 | 0.0648 | 0.086* | |
| H39C | 0.3948 | 0.5558 | 0.1061 | 0.086* | |
| C40 | 0.2986 (2) | 0.7296 (2) | 0.12971 (14) | 0.0490 (9) | |
| H40A | 0.2656 | 0.7410 | 0.1521 | 0.073* | |
| H40B | 0.2706 | 0.7414 | 0.0945 | 0.073* | |
| H40C | 0.3433 | 0.7673 | 0.1392 | 0.073* | |
| C41 | 0.48895 (16) | 0.54084 (18) | 0.31973 (12) | 0.0305 (7) | |
| C42 | 0.53291 (16) | 0.6055 (2) | 0.30411 (13) | 0.0355 (7) | |
| C43 | 0.60213 (18) | 0.6276 (2) | 0.33735 (16) | 0.0490 (9) | |
| H43A | 0.6333 | 0.6699 | 0.3274 | 0.059* | |
| C44 | 0.6262 (2) | 0.5894 (3) | 0.38420 (17) | 0.0582 (11) | |
| H44A | 0.6742 | 0.6045 | 0.4060 | 0.070* | |
| C45 | 0.5811 (2) | 0.5293 (2) | 0.39982 (15) | 0.0509 (10) | |
| H45A | 0.5977 | 0.5052 | 0.4329 | 0.061* | |
| C46 | 0.51160 (17) | 0.5033 (2) | 0.36812 (12) | 0.0352 (7) | |
| C47 | 0.46645 (18) | 0.4333 (2) | 0.38578 (12) | 0.0344 (7) | |
| H47A | 0.4147 | 0.4314 | 0.3617 | 0.041* | |
| C48 | 0.5038 (2) | 0.3447 (2) | 0.38485 (14) | 0.0466 (9) | |
| H48A | 0.5099 | 0.3336 | 0.3508 | 0.070* | |
| H48B | 0.4717 | 0.2995 | 0.3937 | 0.070* | |
| H48C | 0.5537 | 0.3442 | 0.4095 | 0.070* | |
| C49 | 0.4573 (2) | 0.4510 (3) | 0.43872 (13) | 0.0520 (9) | |
| H49A | 0.4334 | 0.5078 | 0.4392 | 0.078* | |
| H49B | 0.5073 | 0.4507 | 0.4632 | 0.078* | |
| H49C | 0.4254 | 0.4059 | 0.4478 | 0.078* | |
| C50 | 0.50759 (18) | 0.65330 (19) | 0.25420 (13) | 0.0358 (7) | |
| H50A | 0.4547 | 0.6341 | 0.2372 | 0.043* | |
| C51 | 0.5571 (2) | 0.6329 (2) | 0.21852 (17) | 0.0537 (10) | |
| H51A | 0.5579 | 0.5701 | 0.2131 | 0.081* | |
| H51B | 0.6089 | 0.6535 | 0.2336 | 0.081* | |
| H51C | 0.5364 | 0.6620 | 0.1859 | 0.081* | |
| C52 | 0.5057 (2) | 0.7517 (2) | 0.26284 (15) | 0.0451 (9) | |
| H52A | 0.4734 | 0.7642 | 0.2856 | 0.068* | |
| H52B | 0.4851 | 0.7809 | 0.2303 | 0.068* | |
| H52C | 0.5572 | 0.7726 | 0.2782 | 0.068* | |
| C53 | 0.32147 (17) | 0.33239 (18) | 0.28926 (13) | 0.0347 (7) | |
| H53A | 0.3755 | 0.3283 | 0.3084 | 0.042* | 0.637 (11) |
| H53B | 0.3178 | 0.3259 | 0.2526 | 0.042* | 0.637 (11) |
| H53C | 0.3772 | 0.3372 | 0.2950 | 0.042* | 0.363 (11) |
| H53D | 0.2990 | 0.3133 | 0.2539 | 0.042* | 0.363 (11) |
| C54A | 0.2745 (3) | 0.2634 (3) | 0.3068 (2) | 0.0399 (16)* | 0.637 (11) |
| H54A | 0.3048 | 0.2104 | 0.3182 | 0.048* | 0.637 (11) |
| H54B | 0.2290 | 0.2480 | 0.2795 | 0.048* | 0.637 (11) |
| C55A | 0.2527 (4) | 0.3075 (2) | 0.3508 (2) | 0.0470 (18)* | 0.637 (11) |
| H55A | 0.2075 | 0.2801 | 0.3578 | 0.056* | 0.637 (11) |
| H55B | 0.2951 | 0.3063 | 0.3820 | 0.056* | 0.637 (11) |
| C54B | 0.3016 (5) | 0.2697 (5) | 0.3268 (4) | 0.038 (3)* | 0.363 (11) |
| H54C | 0.2989 | 0.2093 | 0.3141 | 0.045* | 0.363 (11) |
| H54D | 0.3391 | 0.2728 | 0.3603 | 0.045* | 0.363 (11) |
| C55B | 0.2242 (5) | 0.3018 (2) | 0.3298 (5) | 0.041 (3)* | 0.363 (11) |
| H55C | 0.1837 | 0.2837 | 0.2998 | 0.049* | 0.363 (11) |
| H55D | 0.2118 | 0.2808 | 0.3610 | 0.049* | 0.363 (11) |
| C56 | 0.2358 (2) | 0.3993 (2) | 0.33100 (16) | 0.0473 (9) | |
| H56A | 0.1825 | 0.4045 | 0.3106 | 0.057* | 0.637 (11) |
| H56B | 0.2446 | 0.4413 | 0.3594 | 0.057* | 0.637 (11) |
| H56C | 0.1871 | 0.4297 | 0.3169 | 0.057* | 0.363 (11) |
| H56D | 0.2578 | 0.4197 | 0.3662 | 0.057* | 0.363 (11) |
| N1 | 0.16121 (12) | 0.78254 (14) | 0.26992 (9) | 0.0253 (5) | |
| N2 | 0.15262 (12) | 0.68918 (14) | 0.34728 (9) | 0.0244 (5) | |
| N3 | 0.30513 (13) | 0.49636 (14) | 0.20455 (9) | 0.0245 (5) | |
| N4 | 0.42064 (12) | 0.51140 (14) | 0.28312 (9) | 0.0252 (5) | |
| O1 | 0.28868 (11) | 0.41535 (12) | 0.29936 (8) | 0.0286 (4) | |
| Cl1 | 0.29709 (4) | 0.80183 (5) | 0.36299 (3) | 0.03575 (18) | |
| Cl2 | 0.31971 (4) | 0.68646 (4) | 0.25774 (3) | 0.02920 (16) | |
| Cl3 | 0.18000 (4) | 0.57077 (4) | 0.25873 (3) | 0.02682 (16) | |
| Cl4 | 0.32064 (4) | 0.58807 (4) | 0.35821 (3) | 0.02876 (16) | |
| Cr1 | 0.23158 (2) | 0.69493 (3) | 0.309904 (17) | 0.02299 (11) | |
| Cr2 | 0.31100 (2) | 0.53728 (3) | 0.274554 (17) | 0.02229 (11) | |
| C58 | 0.1798 (3) | 0.9680 (3) | 0.4190 (2) | 0.0871 (16) | |
| H58A | 0.2090 | 0.9778 | 0.4546 | 0.105* | |
| H58B | 0.2015 | 0.9166 | 0.4062 | 0.105* | |
| Cl7 | 0.18933 (10) | 1.05833 (14) | 0.38280 (8) | 0.1275 (7) | |
| Cl8 | 0.08513 (7) | 0.94725 (8) | 0.41733 (5) | 0.0792 (4) | |
| C59 | 0.4061 (4) | −0.0072 (4) | 0.4289 (3) | 0.110 (2) | |
| H59A | 0.3688 | −0.0406 | 0.4028 | 0.132* | |
| H59B | 0.4565 | −0.0346 | 0.4334 | 0.132* | |
| Cl9 | 0.40933 (11) | 0.09914 (15) | 0.40844 (8) | 0.1363 (7) | |
| Cl10 | 0.38101 (10) | −0.01068 (14) | 0.48510 (6) | 0.1197 (6) | |
| C60 | 0.5119 (3) | 0.2487 (3) | 0.09401 (19) | 0.0709 (13) | |
| H60A | 0.5653 | 0.2533 | 0.1144 | 0.085* | |
| H60B | 0.4897 | 0.1960 | 0.1051 | 0.085* | |
| Cl11 | 0.46194 (10) | 0.33895 (10) | 0.10523 (6) | 0.0983 (5) | |
| Cl12 | 0.50985 (11) | 0.23883 (15) | 0.03107 (7) | 0.1319 (7) | |
| C61 | 0.2913 (4) | 0.2102 (5) | 0.4963 (3) | 0.087 (2) | 0.75 |
| H61A | 0.3457 | 0.2110 | 0.5149 | 0.105* | 0.75 |
| H61B | 0.2874 | 0.1793 | 0.4639 | 0.105* | 0.75 |
| Cl13 | 0.26315 (18) | 0.31482 (15) | 0.48220 (9) | 0.1267 (9) | 0.75 |
| Cl14 | 0.24382 (15) | 0.1508 (2) | 0.53092 (11) | 0.1330 (9) | 0.75 |
| C57 | 0.0102 (3) | 0.1422 (3) | 0.0331 (3) | 0.109 (3) | 0.75 |
| H57A | −0.0094 | 0.1213 | −0.0022 | 0.130* | 0.38 |
| H57B | −0.0232 | 0.1190 | 0.0534 | 0.130* | 0.38 |
| H57C | −0.0165 | 0.1045 | 0.0047 | 0.130* | 0.37 |
| H57D | −0.0175 | 0.1388 | 0.0598 | 0.130* | 0.37 |
| Cl5 | 0.10128 (19) | 0.10275 (16) | 0.05752 (8) | 0.1279 (9) | 0.75 |
| Cl6A | 0.0066 (4) | 0.2544 (2) | 0.0336 (2) | 0.0962 (17) | 0.38 |
| Cl6B | 0.0067 (6) | 0.2481 (3) | 0.01156 (19) | 0.114 (3) | 0.37 |
| C1 | 0.0267 (14) | 0.0192 (13) | 0.0375 (17) | 0.0036 (11) | 0.0057 (12) | −0.0012 (12) |
| C2 | 0.0257 (14) | 0.0226 (14) | 0.0375 (17) | 0.0015 (11) | 0.0079 (13) | −0.0053 (13) |
| C3 | 0.0302 (15) | 0.0225 (14) | 0.0378 (17) | 0.0078 (12) | 0.0097 (13) | 0.0032 (12) |
| C4 | 0.0345 (16) | 0.0287 (15) | 0.0356 (17) | 0.0083 (13) | 0.0070 (14) | 0.0018 (13) |
| C5 | 0.051 (2) | 0.0391 (19) | 0.0396 (19) | 0.0096 (16) | 0.0060 (16) | 0.0052 (15) |
| C6 | 0.063 (2) | 0.051 (2) | 0.044 (2) | 0.0118 (19) | 0.0200 (19) | 0.0166 (18) |
| C7 | 0.049 (2) | 0.0405 (19) | 0.063 (3) | 0.0049 (16) | 0.0222 (19) | 0.0194 (18) |
| C8 | 0.0329 (16) | 0.0277 (16) | 0.052 (2) | 0.0050 (13) | 0.0106 (15) | 0.0115 (15) |
| C9 | 0.0369 (18) | 0.0398 (19) | 0.064 (2) | −0.0119 (15) | 0.0041 (17) | 0.0189 (18) |
| C10 | 0.035 (2) | 0.033 (2) | 0.153 (5) | −0.0033 (16) | 0.015 (2) | −0.003 (3) |
| C11 | 0.045 (2) | 0.060 (3) | 0.080 (3) | −0.0005 (18) | 0.012 (2) | −0.013 (2) |
| C12 | 0.0362 (16) | 0.0291 (16) | 0.0370 (18) | 0.0000 (13) | 0.0003 (14) | −0.0013 (13) |
| C13 | 0.063 (2) | 0.040 (2) | 0.052 (2) | −0.0024 (18) | 0.0002 (19) | −0.0084 (17) |
| C14 | 0.0385 (19) | 0.048 (2) | 0.070 (3) | 0.0004 (16) | 0.0084 (18) | 0.0021 (19) |
| C15 | 0.0330 (15) | 0.0246 (14) | 0.0330 (16) | 0.0058 (12) | 0.0145 (13) | 0.0014 (12) |
| C16 | 0.0364 (16) | 0.0251 (15) | 0.0417 (18) | 0.0003 (12) | 0.0180 (14) | −0.0017 (13) |
| C17 | 0.059 (2) | 0.0343 (18) | 0.057 (2) | −0.0086 (16) | 0.0258 (19) | 0.0038 (17) |
| C18 | 0.081 (3) | 0.042 (2) | 0.059 (3) | −0.001 (2) | 0.028 (2) | 0.0199 (19) |
| C19 | 0.064 (2) | 0.049 (2) | 0.040 (2) | 0.0071 (19) | 0.0140 (18) | 0.0148 (17) |
| C20 | 0.0411 (17) | 0.0339 (17) | 0.0353 (18) | 0.0079 (13) | 0.0128 (14) | 0.0031 (14) |
| C21 | 0.0426 (18) | 0.0478 (19) | 0.0281 (17) | 0.0051 (15) | 0.0049 (14) | −0.0005 (15) |
| C22 | 0.061 (2) | 0.061 (3) | 0.048 (2) | 0.007 (2) | 0.0053 (19) | −0.016 (2) |
| C23 | 0.053 (2) | 0.082 (3) | 0.046 (2) | 0.011 (2) | −0.0017 (19) | 0.007 (2) |
| C24 | 0.0346 (16) | 0.0270 (15) | 0.0449 (19) | −0.0076 (13) | 0.0124 (14) | −0.0034 (14) |
| C25 | 0.0438 (19) | 0.0405 (19) | 0.056 (2) | −0.0106 (15) | 0.0160 (17) | −0.0133 (17) |
| C26 | 0.0396 (19) | 0.043 (2) | 0.064 (2) | 0.0000 (15) | 0.0099 (18) | −0.0086 (18) |
| C27 | 0.0343 (15) | 0.0219 (14) | 0.0321 (16) | 0.0007 (12) | 0.0148 (13) | −0.0023 (12) |
| C28 | 0.0268 (14) | 0.0226 (14) | 0.0387 (17) | 0.0043 (11) | 0.0135 (13) | 0.0016 (13) |
| C29 | 0.0310 (15) | 0.0283 (15) | 0.0254 (15) | 0.0022 (12) | 0.0068 (12) | −0.0032 (12) |
| C30 | 0.0400 (17) | 0.0340 (16) | 0.0309 (17) | 0.0021 (13) | 0.0123 (14) | 0.0003 (13) |
| C31 | 0.054 (2) | 0.049 (2) | 0.0330 (18) | −0.0027 (17) | 0.0092 (16) | 0.0063 (16) |
| C32 | 0.052 (2) | 0.063 (2) | 0.0325 (19) | −0.0046 (18) | −0.0027 (16) | 0.0019 (18) |
| C33 | 0.0412 (18) | 0.0449 (19) | 0.0382 (19) | −0.0081 (15) | 0.0024 (15) | −0.0036 (16) |
| C34 | 0.0352 (16) | 0.0320 (16) | 0.0317 (17) | −0.0023 (13) | 0.0091 (13) | −0.0064 (13) |
| C35 | 0.0378 (17) | 0.0306 (16) | 0.0373 (18) | −0.0057 (13) | 0.0084 (14) | −0.0030 (14) |
| C36 | 0.058 (2) | 0.0347 (19) | 0.058 (2) | −0.0009 (16) | 0.0138 (19) | −0.0044 (17) |
| C37 | 0.0424 (19) | 0.044 (2) | 0.052 (2) | −0.0117 (15) | 0.0149 (17) | −0.0023 (17) |
| C38 | 0.0414 (17) | 0.0353 (17) | 0.0349 (17) | −0.0031 (14) | 0.0122 (14) | 0.0066 (14) |
| C39 | 0.063 (2) | 0.058 (2) | 0.062 (3) | −0.003 (2) | 0.034 (2) | 0.001 (2) |
| C40 | 0.061 (2) | 0.0380 (19) | 0.046 (2) | −0.0025 (17) | 0.0093 (18) | 0.0079 (16) |
| C41 | 0.0255 (14) | 0.0257 (14) | 0.0380 (17) | 0.0048 (12) | 0.0044 (13) | −0.0009 (13) |
| C42 | 0.0257 (15) | 0.0305 (16) | 0.050 (2) | 0.0010 (12) | 0.0099 (14) | 0.0006 (14) |
| C43 | 0.0293 (17) | 0.0399 (19) | 0.073 (3) | −0.0046 (14) | 0.0045 (17) | 0.0051 (18) |
| C44 | 0.0334 (18) | 0.054 (2) | 0.073 (3) | −0.0071 (17) | −0.0111 (18) | −0.001 (2) |
| C45 | 0.0426 (19) | 0.048 (2) | 0.050 (2) | 0.0053 (16) | −0.0097 (17) | 0.0042 (18) |
| C46 | 0.0328 (16) | 0.0322 (16) | 0.0372 (18) | 0.0083 (13) | 0.0030 (14) | 0.0011 (14) |
| C47 | 0.0375 (16) | 0.0321 (16) | 0.0300 (16) | 0.0071 (13) | 0.0024 (13) | 0.0047 (13) |
| C48 | 0.052 (2) | 0.0364 (18) | 0.046 (2) | 0.0121 (16) | 0.0040 (17) | 0.0030 (16) |
| C49 | 0.063 (2) | 0.053 (2) | 0.037 (2) | 0.0117 (18) | 0.0082 (18) | 0.0021 (17) |
| C50 | 0.0317 (16) | 0.0276 (16) | 0.050 (2) | 0.0001 (13) | 0.0139 (14) | 0.0021 (14) |
| C51 | 0.053 (2) | 0.045 (2) | 0.073 (3) | 0.0095 (17) | 0.034 (2) | 0.012 (2) |
| C52 | 0.0410 (18) | 0.0303 (17) | 0.064 (2) | −0.0002 (14) | 0.0132 (17) | 0.0022 (16) |
| C53 | 0.0394 (17) | 0.0208 (14) | 0.0463 (19) | 0.0051 (12) | 0.0155 (15) | 0.0010 (13) |
| C56 | 0.056 (2) | 0.0370 (19) | 0.062 (2) | 0.0029 (16) | 0.0383 (19) | 0.0086 (17) |
| N1 | 0.0235 (11) | 0.0173 (11) | 0.0332 (13) | 0.0006 (9) | 0.0039 (10) | 0.0007 (10) |
| N2 | 0.0236 (11) | 0.0206 (11) | 0.0277 (12) | −0.0004 (9) | 0.0045 (10) | −0.0035 (10) |
| N3 | 0.0274 (12) | 0.0202 (11) | 0.0270 (13) | −0.0020 (9) | 0.0089 (10) | −0.0008 (10) |
| N4 | 0.0242 (11) | 0.0202 (11) | 0.0310 (13) | 0.0022 (9) | 0.0069 (10) | 0.0030 (10) |
| O1 | 0.0327 (10) | 0.0211 (10) | 0.0356 (11) | 0.0031 (8) | 0.0153 (9) | 0.0027 (9) |
| Cl1 | 0.0334 (4) | 0.0273 (4) | 0.0410 (4) | −0.0039 (3) | −0.0003 (3) | −0.0055 (3) |
| Cl2 | 0.0301 (3) | 0.0215 (3) | 0.0385 (4) | 0.0020 (3) | 0.0135 (3) | 0.0032 (3) |
| Cl3 | 0.0232 (3) | 0.0227 (3) | 0.0333 (4) | 0.0014 (3) | 0.0052 (3) | −0.0037 (3) |
| Cl4 | 0.0309 (3) | 0.0269 (3) | 0.0268 (4) | 0.0074 (3) | 0.0046 (3) | 0.0000 (3) |
| Cr1 | 0.0216 (2) | 0.0182 (2) | 0.0281 (2) | 0.00189 (17) | 0.00455 (18) | −0.00073 (18) |
| Cr2 | 0.0223 (2) | 0.0185 (2) | 0.0265 (2) | 0.00255 (17) | 0.00712 (18) | 0.00039 (18) |
| C58 | 0.063 (3) | 0.075 (3) | 0.111 (4) | 0.007 (2) | 0.001 (3) | 0.001 (3) |
| Cl7 | 0.1034 (12) | 0.1551 (17) | 0.1255 (14) | −0.0021 (11) | 0.0324 (11) | 0.0440 (13) |
| Cl8 | 0.0656 (7) | 0.0764 (8) | 0.0899 (9) | 0.0062 (6) | 0.0102 (6) | −0.0126 (7) |
| C59 | 0.098 (4) | 0.098 (4) | 0.137 (6) | −0.005 (3) | 0.034 (4) | −0.048 (4) |
| Cl9 | 0.1284 (14) | 0.1613 (18) | 0.1273 (15) | −0.0241 (13) | 0.0480 (12) | 0.0590 (13) |
| Cl10 | 0.1108 (12) | 0.1592 (16) | 0.0853 (10) | −0.0175 (11) | 0.0189 (9) | 0.0503 (11) |
| C60 | 0.055 (2) | 0.060 (3) | 0.095 (4) | −0.003 (2) | 0.015 (2) | 0.004 (3) |
| Cl11 | 0.1274 (12) | 0.0849 (9) | 0.0944 (10) | 0.0328 (8) | 0.0499 (9) | 0.0142 (8) |
| Cl12 | 0.1228 (13) | 0.1706 (18) | 0.1001 (12) | 0.0383 (13) | 0.0251 (10) | −0.0424 (12) |
| C61 | 0.078 (4) | 0.091 (5) | 0.099 (5) | 0.002 (4) | 0.035 (4) | 0.013 (4) |
| Cl13 | 0.186 (3) | 0.0968 (15) | 0.0962 (15) | 0.0382 (16) | 0.0347 (16) | 0.0019 (12) |
| Cl14 | 0.134 (2) | 0.156 (2) | 0.140 (2) | −0.0201 (17) | 0.0911 (18) | 0.0088 (18) |
| C57 | 0.109 (6) | 0.147 (8) | 0.081 (5) | −0.062 (6) | 0.045 (5) | 0.006 (5) |
| Cl5 | 0.218 (3) | 0.1073 (16) | 0.0804 (13) | 0.0387 (17) | 0.0786 (17) | 0.0059 (12) |
| Cl6A | 0.085 (3) | 0.091 (3) | 0.104 (5) | −0.013 (2) | 0.009 (4) | −0.027 (2) |
| Cl6B | 0.145 (5) | 0.133 (5) | 0.061 (3) | −0.024 (4) | 0.020 (4) | −0.017 (3) |
| C1—N1 | 1.336 (4) | C39—H39B | 0.9800 |
| C1—C2 | 1.386 (4) | C39—H39C | 0.9800 |
| C1—H1A | 0.9500 | C40—H40A | 0.9800 |
| C2—N2 | 1.339 (3) | C40—H40B | 0.9800 |
| C2—H2A | 0.9500 | C40—H40C | 0.9800 |
| C3—C8 | 1.410 (4) | C41—C46 | 1.402 (4) |
| C3—C4 | 1.410 (4) | C41—C42 | 1.413 (4) |
| C3—N1 | 1.443 (4) | C41—N4 | 1.452 (4) |
| C4—C5 | 1.388 (5) | C42—C43 | 1.392 (4) |
| C4—C12 | 1.519 (4) | C42—C50 | 1.512 (5) |
| C5—C6 | 1.372 (4) | C43—C44 | 1.372 (6) |
| C5—H5A | 0.9500 | C43—H43A | 0.9500 |
| C6—C7 | 1.369 (4) | C44—C45 | 1.379 (6) |
| C6—H6A | 0.9500 | C44—H44A | 0.9500 |
| C7—C8 | 1.388 (5) | C45—C46 | 1.395 (4) |
| C7—H7A | 0.9500 | C45—H45A | 0.9500 |
| C8—C9 | 1.510 (5) | C46—C47 | 1.512 (5) |
| C9—C11 | 1.532 (5) | C47—C49 | 1.523 (5) |
| C9—C10 | 1.534 (5) | C47—C48 | 1.530 (4) |
| C9—H9A | 1.0000 | C47—H47A | 1.0000 |
| C10—H10A | 0.9800 | C48—H48A | 0.9800 |
| C10—H10B | 0.9800 | C48—H48B | 0.9800 |
| C10—H10C | 0.9800 | C48—H48C | 0.9800 |
| C11—H11A | 0.9800 | C49—H49A | 0.9800 |
| C11—H11B | 0.9800 | C49—H49B | 0.9800 |
| C11—H11C | 0.9800 | C49—H49C | 0.9800 |
| C12—C14 | 1.526 (5) | C50—C51 | 1.526 (5) |
| C12—C13 | 1.542 (5) | C50—C52 | 1.536 (4) |
| C12—H12A | 1.0000 | C50—H50A | 1.0000 |
| C13—H13A | 0.9800 | C51—H51A | 0.9800 |
| C13—H13B | 0.9800 | C51—H51B | 0.9800 |
| C13—H13C | 0.9800 | C51—H51C | 0.9800 |
| C14—H14A | 0.9800 | C52—H52A | 0.9800 |
| C14—H14B | 0.9800 | C52—H52B | 0.9800 |
| C14—H14C | 0.9800 | C52—H52C | 0.9800 |
| C15—C16 | 1.410 (4) | C53—O1 | 1.468 (3) |
| C15—C20 | 1.412 (4) | C53—C54A | 1.519 (3) |
| C15—N2 | 1.436 (4) | C53—C54B | 1.520 (3) |
| C16—C17 | 1.399 (5) | C53—H53A | 0.9900 |
| C16—C24 | 1.508 (4) | C53—H53B | 0.9900 |
| C17—C18 | 1.375 (6) | C53—H53C | 0.9900 |
| C17—H17A | 0.9500 | C53—H53D | 0.9900 |
| C18—C19 | 1.368 (6) | C54A—C55A | 1.520 (3) |
| C18—H18A | 0.9500 | C54A—H54A | 0.9900 |
| C19—C20 | 1.397 (5) | C54A—H54B | 0.9900 |
| C19—H19A | 0.9500 | C55A—C56 | 1.518 (3) |
| C20—C21 | 1.513 (5) | C55A—H55A | 0.9900 |
| C21—C22 | 1.531 (5) | C55A—H55B | 0.9900 |
| C21—C23 | 1.532 (5) | C54B—C55B | 1.520 (3) |
| C21—H21A | 1.0000 | C54B—H54C | 0.9900 |
| C22—H22A | 0.9800 | C54B—H54D | 0.9900 |
| C22—H22B | 0.9800 | C55B—C56 | 1.518 (3) |
| C22—H22C | 0.9800 | C55B—H55C | 0.9900 |
| C23—H23A | 0.9800 | C55B—H55D | 0.9900 |
| C23—H23B | 0.9800 | C56—O1 | 1.475 (4) |
| C23—H23C | 0.9800 | C56—H56A | 0.9900 |
| C24—C25 | 1.531 (4) | C56—H56B | 0.9900 |
| C24—C26 | 1.536 (5) | C56—H56C | 0.9900 |
| C24—H24A | 1.0000 | C56—H56D | 0.9900 |
| C25—H25A | 0.9800 | N1—Cr1 | 1.983 (2) |
| C25—H25B | 0.9800 | N2—Cr1 | 1.974 (2) |
| C25—H25C | 0.9800 | N3—Cr2 | 1.989 (2) |
| C26—H26A | 0.9800 | N4—Cr2 | 1.994 (2) |
| C26—H26B | 0.9800 | O1—Cr2 | 2.0737 (19) |
| C26—H26C | 0.9800 | Cl1—Cr1 | 2.3107 (8) |
| C27—N3 | 1.341 (4) | Cl2—Cr2 | 2.3579 (8) |
| C27—C28 | 1.386 (4) | Cl2—Cr1 | 2.4153 (9) |
| C27—H27A | 0.9500 | Cl3—Cr2 | 2.3730 (8) |
| C28—N4 | 1.338 (4) | Cl3—Cr1 | 2.4110 (8) |
| C28—H28A | 0.9500 | Cl4—Cr2 | 2.3778 (8) |
| C29—C30 | 1.395 (4) | Cl4—Cr1 | 2.4441 (8) |
| C29—C34 | 1.409 (4) | C58—Cl7 | 1.742 (6) |
| C29—N3 | 1.449 (4) | C58—Cl8 | 1.747 (5) |
| C30—C31 | 1.397 (5) | C58—H58A | 0.9900 |
| C30—C38 | 1.530 (4) | C58—H58B | 0.9900 |
| C31—C32 | 1.373 (4) | C59—Cl10 | 1.714 (7) |
| C31—H31A | 0.9500 | C59—Cl9 | 1.738 (7) |
| C32—C33 | 1.377 (4) | C59—H59A | 0.9900 |
| C32—H32A | 0.9500 | C59—H59B | 0.9900 |
| C33—C34 | 1.395 (4) | C60—Cl12 | 1.716 (5) |
| C33—H33A | 0.9500 | C60—Cl11 | 1.733 (5) |
| C34—C35 | 1.513 (4) | C60—H60A | 0.9900 |
| C35—C37 | 1.525 (5) | C60—H60B | 0.9900 |
| C35—C36 | 1.537 (5) | C61—Cl13 | 1.705 (7) |
| C35—H35A | 1.0000 | C61—Cl14 | 1.708 (7) |
| C36—H36A | 0.9800 | C61—H61A | 0.9900 |
| C36—H36B | 0.9800 | C61—H61B | 0.9900 |
| C36—H36C | 0.9800 | C57—Cl6A | 1.730 (5) |
| C37—H37A | 0.9800 | C57—Cl6B | 1.731 (5) |
| C37—H37B | 0.9800 | C57—Cl5 | 1.732 (4) |
| C37—H37C | 0.9800 | C57—H57A | 0.9900 |
| C38—C40 | 1.529 (5) | C57—H57B | 0.9900 |
| C38—C39 | 1.532 (5) | C57—H57C | 0.9900 |
| C38—H38A | 1.0000 | C57—H57D | 0.9900 |
| C39—H39A | 0.9800 | ||
| N1—C1—C2 | 117.2 (2) | C45—C46—C41 | 117.6 (3) |
| N1—C1—H1A | 121.4 | C45—C46—C47 | 119.4 (3) |
| C2—C1—H1A | 121.4 | C41—C46—C47 | 123.0 (3) |
| N2—C2—C1 | 116.6 (3) | C46—C47—C49 | 112.3 (3) |
| N2—C2—H2A | 121.7 | C46—C47—C48 | 110.5 (3) |
| C1—C2—H2A | 121.7 | C49—C47—C48 | 109.6 (3) |
| C8—C3—C4 | 120.4 (3) | C46—C47—H47A | 108.1 |
| C8—C3—N1 | 120.7 (3) | C49—C47—H47A | 108.1 |
| C4—C3—N1 | 118.9 (3) | C48—C47—H47A | 108.1 |
| C5—C4—C3 | 118.4 (3) | C47—C48—H48A | 109.5 |
| C5—C4—C12 | 119.4 (3) | C47—C48—H48B | 109.5 |
| C3—C4—C12 | 122.2 (3) | H48A—C48—H48B | 109.5 |
| C6—C5—C4 | 121.6 (3) | C47—C48—H48C | 109.5 |
| C6—C5—H5A | 119.2 | H48A—C48—H48C | 109.5 |
| C4—C5—H5A | 119.2 | H48B—C48—H48C | 109.5 |
| C7—C6—C5 | 119.6 (3) | C47—C49—H49A | 109.5 |
| C7—C6—H6A | 120.2 | C47—C49—H49B | 109.5 |
| C5—C6—H6A | 120.2 | H49A—C49—H49B | 109.5 |
| C6—C7—C8 | 122.0 (3) | C47—C49—H49C | 109.5 |
| C6—C7—H7A | 119.0 | H49A—C49—H49C | 109.5 |
| C8—C7—H7A | 119.0 | H49B—C49—H49C | 109.5 |
| C7—C8—C3 | 118.0 (3) | C42—C50—C51 | 112.5 (3) |
| C7—C8—C9 | 119.4 (3) | C42—C50—C52 | 110.9 (3) |
| C3—C8—C9 | 122.6 (3) | C51—C50—C52 | 110.0 (3) |
| C8—C9—C11 | 111.6 (3) | C42—C50—H50A | 107.7 |
| C8—C9—C10 | 111.8 (4) | C51—C50—H50A | 107.7 |
| C11—C9—C10 | 110.0 (3) | C52—C50—H50A | 107.7 |
| C8—C9—H9A | 107.7 | C50—C51—H51A | 109.5 |
| C11—C9—H9A | 107.7 | C50—C51—H51B | 109.5 |
| C10—C9—H9A | 107.7 | H51A—C51—H51B | 109.5 |
| C9—C10—H10A | 109.5 | C50—C51—H51C | 109.5 |
| C9—C10—H10B | 109.5 | H51A—C51—H51C | 109.5 |
| H10A—C10—H10B | 109.5 | H51B—C51—H51C | 109.5 |
| C9—C10—H10C | 109.5 | C50—C52—H52A | 109.5 |
| H10A—C10—H10C | 109.5 | C50—C52—H52B | 109.5 |
| H10B—C10—H10C | 109.5 | H52A—C52—H52B | 109.5 |
| C9—C11—H11A | 109.5 | C50—C52—H52C | 109.5 |
| C9—C11—H11B | 109.5 | H52A—C52—H52C | 109.5 |
| H11A—C11—H11B | 109.5 | H52B—C52—H52C | 109.5 |
| C9—C11—H11C | 109.5 | O1—C53—C54A | 105.0 (3) |
| H11A—C11—H11C | 109.5 | O1—C53—C54B | 104.3 (4) |
| H11B—C11—H11C | 109.5 | O1—C53—H53A | 110.8 |
| C4—C12—C14 | 111.3 (3) | C54A—C53—H53A | 110.8 |
| C4—C12—C13 | 111.6 (3) | C54B—C53—H53A | 89.0 |
| C14—C12—C13 | 111.0 (3) | O1—C53—H53B | 110.8 |
| C4—C12—H12A | 107.6 | C54A—C53—H53B | 110.8 |
| C14—C12—H12A | 107.6 | C54B—C53—H53B | 130.7 |
| C13—C12—H12A | 107.6 | H53A—C53—H53B | 108.8 |
| C12—C13—H13A | 109.5 | O1—C53—H53C | 110.9 |
| C12—C13—H13B | 109.5 | C54A—C53—H53C | 130.0 |
| H13A—C13—H13B | 109.5 | C54B—C53—H53C | 110.9 |
| C12—C13—H13C | 109.5 | H53B—C53—H53C | 87.9 |
| H13A—C13—H13C | 109.5 | O1—C53—H53D | 110.9 |
| H13B—C13—H13C | 109.5 | C54A—C53—H53D | 88.6 |
| C12—C14—H14A | 109.5 | C54B—C53—H53D | 110.9 |
| C12—C14—H14B | 109.5 | H53A—C53—H53D | 126.8 |
| H14A—C14—H14B | 109.5 | H53C—C53—H53D | 108.9 |
| C12—C14—H14C | 109.5 | C53—C54A—C55A | 102.9 (3) |
| H14A—C14—H14C | 109.5 | C53—C54A—H54A | 111.2 |
| H14B—C14—H14C | 109.5 | C55A—C54A—H54A | 111.2 |
| C16—C15—C20 | 121.3 (3) | C53—C54A—H54B | 111.2 |
| C16—C15—N2 | 118.9 (3) | C55A—C54A—H54B | 111.2 |
| C20—C15—N2 | 119.8 (3) | H54A—C54A—H54B | 109.1 |
| C17—C16—C15 | 117.8 (3) | C56—C55A—C54A | 101.9 (4) |
| C17—C16—C24 | 119.1 (3) | C56—C55A—H55A | 111.4 |
| C15—C16—C24 | 123.1 (3) | C54A—C55A—H55A | 111.4 |
| C18—C17—C16 | 121.0 (3) | C56—C55A—H55B | 111.4 |
| C18—C17—H17A | 119.5 | C54A—C55A—H55B | 111.4 |
| C16—C17—H17A | 119.5 | H55A—C55A—H55B | 109.3 |
| C19—C18—C17 | 120.7 (3) | C55B—C54B—C53 | 102.7 (5) |
| C19—C18—H18A | 119.6 | C55B—C54B—H54C | 111.2 |
| C17—C18—H18A | 119.6 | C53—C54B—H54C | 111.2 |
| C18—C19—C20 | 121.3 (3) | C55B—C54B—H54D | 111.2 |
| C18—C19—H19A | 119.4 | C53—C54B—H54D | 111.2 |
| C20—C19—H19A | 119.4 | H54C—C54B—H54D | 109.1 |
| C19—C20—C15 | 117.7 (3) | C56—C55B—C54B | 101.3 (5) |
| C19—C20—C21 | 121.2 (3) | C56—C55B—H55C | 111.5 |
| C15—C20—C21 | 121.0 (3) | C54B—C55B—H55C | 111.5 |
| C20—C21—C22 | 109.6 (3) | C56—C55B—H55D | 111.5 |
| C20—C21—C23 | 113.9 (3) | C54B—C55B—H55D | 111.5 |
| C22—C21—C23 | 110.3 (3) | H55C—C55B—H55D | 109.3 |
| C20—C21—H21A | 107.6 | O1—C56—C55A | 105.2 (3) |
| C22—C21—H21A | 107.6 | O1—C56—C55B | 105.2 (4) |
| C23—C21—H21A | 107.6 | O1—C56—H56A | 110.7 |
| C21—C22—H22A | 109.5 | C55A—C56—H56A | 110.7 |
| C21—C22—H22B | 109.5 | C55B—C56—H56A | 87.5 |
| H22A—C22—H22B | 109.5 | O1—C56—H56B | 110.7 |
| C21—C22—H22C | 109.5 | C55A—C56—H56B | 110.7 |
| H22A—C22—H22C | 109.5 | C55B—C56—H56B | 131.1 |
| H22B—C22—H22C | 109.5 | H56A—C56—H56B | 108.8 |
| C21—C23—H23A | 109.5 | O1—C56—H56C | 110.7 |
| C21—C23—H23B | 109.5 | C55A—C56—H56C | 131.1 |
| H23A—C23—H23B | 109.5 | C55B—C56—H56C | 110.7 |
| C21—C23—H23C | 109.5 | H56B—C56—H56C | 86.5 |
| H23A—C23—H23C | 109.5 | O1—C56—H56D | 110.7 |
| H23B—C23—H23C | 109.5 | C55A—C56—H56D | 87.5 |
| C16—C24—C25 | 113.2 (3) | C55B—C56—H56D | 110.7 |
| C16—C24—C26 | 110.0 (3) | H56A—C56—H56D | 127.7 |
| C25—C24—C26 | 108.8 (3) | H56C—C56—H56D | 108.8 |
| C16—C24—H24A | 108.3 | C1—N1—C3 | 118.7 (2) |
| C25—C24—H24A | 108.3 | C1—N1—Cr1 | 109.93 (19) |
| C26—C24—H24A | 108.3 | C3—N1—Cr1 | 131.32 (19) |
| C24—C25—H25A | 109.5 | C2—N2—C15 | 120.3 (2) |
| C24—C25—H25B | 109.5 | C2—N2—Cr1 | 110.54 (19) |
| H25A—C25—H25B | 109.5 | C15—N2—Cr1 | 128.58 (18) |
| C24—C25—H25C | 109.5 | C27—N3—C29 | 116.0 (2) |
| H25A—C25—H25C | 109.5 | C27—N3—Cr2 | 111.96 (19) |
| H25B—C25—H25C | 109.5 | C29—N3—Cr2 | 131.64 (18) |
| C24—C26—H26A | 109.5 | C28—N4—C41 | 115.3 (2) |
| C24—C26—H26B | 109.5 | C28—N4—Cr2 | 111.59 (18) |
| H26A—C26—H26B | 109.5 | C41—N4—Cr2 | 132.33 (19) |
| C24—C26—H26C | 109.5 | C53—O1—C56 | 109.0 (2) |
| H26A—C26—H26C | 109.5 | C53—O1—Cr2 | 127.10 (16) |
| H26B—C26—H26C | 109.5 | C56—O1—Cr2 | 123.88 (16) |
| N3—C27—C28 | 116.5 (3) | Cr2—Cl2—Cr1 | 81.29 (3) |
| N3—C27—H27A | 121.8 | Cr2—Cl3—Cr1 | 81.07 (2) |
| C28—C27—H27A | 121.8 | Cr2—Cl4—Cr1 | 80.30 (3) |
| N4—C28—C27 | 117.2 (2) | N2—Cr1—N1 | 81.95 (10) |
| N4—C28—H28A | 121.4 | N2—Cr1—Cl1 | 92.03 (7) |
| C27—C28—H28A | 121.4 | N1—Cr1—Cl1 | 90.83 (7) |
| C30—C29—C34 | 120.9 (3) | N2—Cr1—Cl3 | 92.11 (7) |
| C30—C29—N3 | 119.0 (3) | N1—Cr1—Cl3 | 97.04 (7) |
| C34—C29—N3 | 120.0 (3) | Cl1—Cr1—Cl3 | 171.55 (3) |
| C29—C30—C31 | 118.3 (3) | N2—Cr1—Cl2 | 172.58 (7) |
| C29—C30—C38 | 123.2 (3) | N1—Cr1—Cl2 | 98.48 (8) |
| C31—C30—C38 | 118.5 (3) | Cl1—Cr1—Cl2 | 95.36 (3) |
| C32—C31—C30 | 121.6 (3) | Cl3—Cr1—Cl2 | 80.48 (3) |
| C32—C31—H31A | 119.2 | N2—Cr1—Cl4 | 99.39 (7) |
| C30—C31—H31A | 119.2 | N1—Cr1—Cl4 | 178.63 (8) |
| C31—C32—C33 | 119.6 (3) | Cl1—Cr1—Cl4 | 88.84 (3) |
| C31—C32—H32A | 120.2 | Cl3—Cr1—Cl4 | 83.22 (3) |
| C33—C32—H32A | 120.2 | Cl2—Cr1—Cl4 | 80.24 (3) |
| C32—C33—C34 | 121.4 (3) | N3—Cr2—N4 | 81.34 (10) |
| C32—C33—H33A | 119.3 | N3—Cr2—O1 | 93.49 (9) |
| C34—C33—H33A | 119.3 | N4—Cr2—O1 | 93.29 (8) |
| C33—C34—C29 | 118.2 (3) | N3—Cr2—Cl2 | 96.39 (7) |
| C33—C34—C35 | 119.6 (3) | N4—Cr2—Cl2 | 95.80 (7) |
| C29—C34—C35 | 122.1 (3) | O1—Cr2—Cl2 | 167.46 (6) |
| C34—C35—C37 | 112.6 (3) | N3—Cr2—Cl3 | 95.48 (7) |
| C34—C35—C36 | 109.9 (3) | N4—Cr2—Cl3 | 176.21 (8) |
| C37—C35—C36 | 110.7 (3) | O1—Cr2—Cl3 | 88.96 (6) |
| C34—C35—H35A | 107.8 | Cl2—Cr2—Cl3 | 82.45 (3) |
| C37—C35—H35A | 107.8 | N3—Cr2—Cl4 | 178.65 (7) |
| C36—C35—H35A | 107.8 | N4—Cr2—Cl4 | 97.66 (7) |
| C35—C36—H36A | 109.5 | O1—Cr2—Cl4 | 87.47 (6) |
| C35—C36—H36B | 109.5 | Cl2—Cr2—Cl4 | 82.78 (3) |
| H36A—C36—H36B | 109.5 | Cl3—Cr2—Cl4 | 85.48 (3) |
| C35—C36—H36C | 109.5 | Cl7—C58—Cl8 | 112.1 (3) |
| H36A—C36—H36C | 109.5 | Cl7—C58—H58A | 109.2 |
| H36B—C36—H36C | 109.5 | Cl8—C58—H58A | 109.2 |
| C35—C37—H37A | 109.5 | Cl7—C58—H58B | 109.2 |
| C35—C37—H37B | 109.5 | Cl8—C58—H58B | 109.2 |
| H37A—C37—H37B | 109.5 | H58A—C58—H58B | 107.9 |
| C35—C37—H37C | 109.5 | Cl10—C59—Cl9 | 110.9 (3) |
| H37A—C37—H37C | 109.5 | Cl10—C59—H59A | 109.5 |
| H37B—C37—H37C | 109.5 | Cl9—C59—H59A | 109.5 |
| C40—C38—C30 | 112.0 (3) | Cl10—C59—H59B | 109.5 |
| C40—C38—C39 | 110.4 (3) | Cl9—C59—H59B | 109.5 |
| C30—C38—C39 | 110.9 (3) | H59A—C59—H59B | 108.0 |
| C40—C38—H38A | 107.8 | Cl12—C60—Cl11 | 112.0 (3) |
| C30—C38—H38A | 107.8 | Cl12—C60—H60A | 109.2 |
| C39—C38—H38A | 107.8 | Cl11—C60—H60A | 109.2 |
| C38—C39—H39A | 109.5 | Cl12—C60—H60B | 109.2 |
| C38—C39—H39B | 109.5 | Cl11—C60—H60B | 109.2 |
| H39A—C39—H39B | 109.5 | H60A—C60—H60B | 107.9 |
| C38—C39—H39C | 109.5 | Cl13—C61—Cl14 | 117.7 (5) |
| H39A—C39—H39C | 109.5 | Cl13—C61—H61A | 107.9 |
| H39B—C39—H39C | 109.5 | Cl14—C61—H61A | 107.9 |
| C38—C40—H40A | 109.5 | Cl13—C61—H61B | 107.9 |
| C38—C40—H40B | 109.5 | Cl14—C61—H61B | 107.9 |
| H40A—C40—H40B | 109.5 | H61A—C61—H61B | 107.2 |
| C38—C40—H40C | 109.5 | Cl6A—C57—Cl5 | 112.5 (5) |
| H40A—C40—H40C | 109.5 | Cl6B—C57—Cl5 | 114.1 (5) |
| H40B—C40—H40C | 109.5 | Cl6A—C57—H57A | 109.1 |
| C46—C41—C42 | 121.6 (3) | Cl6B—C57—H57A | 90.2 |
| C46—C41—N4 | 120.6 (3) | Cl5—C57—H57A | 109.1 |
| C42—C41—N4 | 117.8 (3) | Cl6A—C57—H57B | 109.1 |
| C43—C42—C41 | 117.8 (3) | Cl6B—C57—H57B | 123.9 |
| C43—C42—C50 | 118.7 (3) | Cl5—C57—H57B | 109.1 |
| C41—C42—C50 | 123.5 (3) | H57A—C57—H57B | 107.8 |
| C44—C43—C42 | 121.2 (3) | Cl6A—C57—H57C | 125.5 |
| C44—C43—H43A | 119.4 | Cl6B—C57—H57C | 108.7 |
| C42—C43—H43A | 119.4 | Cl5—C57—H57C | 108.7 |
| C43—C44—C45 | 120.3 (3) | H57B—C57—H57C | 88.6 |
| C43—C44—H44A | 119.8 | Cl6A—C57—H57D | 91.2 |
| C45—C44—H44A | 119.8 | Cl6B—C57—H57D | 108.7 |
| C44—C45—C46 | 121.4 (3) | Cl5—C57—H57D | 108.7 |
| C44—C45—H45A | 119.3 | H57A—C57—H57D | 125.0 |
| C46—C45—H45A | 119.3 | H57C—C57—H57D | 107.6 |