| Literature DB >> 22346853 |
Abstract
The asymmetric unit of the title complex, [Fe(C(5)H(5))(C(11)H(17)N)]ClO(4), contains two independent all-yl(ferro-cenyl-meth-yl)dimethyl-ammonium cations and two ClO(4) (-) anions. The anions are disordered each over two sets of sites, with an occupancy ratio of 0.617 (6):0.383 (6). The distances from the Fe atoms to the centroids of the unsubstituted and substituted cyclo-penta-dienyl (Cp) rings are 1.645 (1)/1.657 (1) and 1.644 (1)/1.647 (1) Å. The dihedral angles between the two Cp rings are 2.49 (3) and 1.45 (4)° in the two ferrocenyl groups of the cations.Entities:
Year: 2012 PMID: 22346853 PMCID: PMC3274906 DOI: 10.1107/S1600536812001766
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Fe(C5H5)(C11H17N)]ClO4 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 8130 reflections |
| θ = 3.0–27.5° | |
| µ = 1.02 mm−1 | |
| β = 123.84 (2)° | Block, red |
| 0.10 × 0.03 × 0.03 mm | |
| Rigaku Mercury2 CCD diffractometer | 8130 independent reflections |
| Radiation source: fine-focus sealed tube | 4317 reflections with |
| graphite | |
| Detector resolution: 13.6612 pixels mm-1 | θmax = 27.5°, θmin = 3.0° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 35474 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 | |
| 8130 reflections | (Δ/σ)max < 0.001 |
| 500 parameters | Δρmax = 0.38 e Å−3 |
| 18 restraints | Δρmin = −0.32 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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. |
| Occ. (<1) | |||||
| Fe1 | 0.20107 (4) | 0.03124 (5) | 0.11383 (3) | 0.0524 (2) | |
| N1 | 0.3530 (3) | 0.4015 (3) | 0.15949 (17) | 0.0648 (10) | |
| C1 | 0.2102 (3) | 0.1552 (4) | 0.05836 (19) | 0.0578 (11) | |
| H1A | 0.1523 | 0.2079 | 0.0273 | 0.069* | |
| C2 | 0.2355 (4) | 0.0381 (5) | 0.0479 (2) | 0.0740 (14) | |
| H2A | 0.1974 | −0.0060 | 0.0083 | 0.089* | |
| C3 | 0.3226 (4) | −0.0066 (4) | 0.1035 (3) | 0.0770 (15) | |
| H3A | 0.3558 | −0.0874 | 0.1094 | 0.092* | |
| C4 | 0.3540 (3) | 0.0827 (4) | 0.1504 (2) | 0.0666 (12) | |
| H4A | 0.4134 | 0.0759 | 0.1939 | 0.080* | |
| C5 | 0.2837 (3) | 0.1849 (4) | 0.12223 (19) | 0.0521 (10) | |
| C6 | 0.1263 (6) | 0.0664 (6) | 0.1571 (4) | 0.0907 (17) | |
| H6A | 0.1307 | 0.1437 | 0.1779 | 0.109* | |
| C7 | 0.1932 (5) | −0.0324 (7) | 0.1845 (2) | 0.0884 (17) | |
| H7A | 0.2526 | −0.0380 | 0.2280 | 0.106* | |
| C8 | 0.1604 (5) | −0.1253 (5) | 0.1394 (4) | 0.0961 (18) | |
| H8A | 0.1914 | −0.2075 | 0.1454 | 0.115* | |
| C9 | 0.0727 (5) | −0.0770 (7) | 0.0848 (3) | 0.097 (2) | |
| H9A | 0.0314 | −0.1196 | 0.0449 | 0.116* | |
| C10 | 0.0531 (4) | 0.0401 (7) | 0.0968 (3) | 0.0938 (19) | |
| H10A | −0.0043 | 0.0946 | 0.0668 | 0.113* | |
| C11 | 0.2828 (3) | 0.2957 (4) | 0.1554 (2) | 0.0610 (11) | |
| H11A | 0.3059 | 0.2719 | 0.1971 | 0.073* | |
| H11B | 0.2104 | 0.3252 | 0.1346 | 0.073* | |
| C12 | 0.3459 (4) | 0.5026 (5) | 0.1963 (3) | 0.0912 (17) | |
| H12A | 0.3888 | 0.5709 | 0.1995 | 0.137* | |
| H12B | 0.3709 | 0.4730 | 0.2371 | 0.137* | |
| H12C | 0.2734 | 0.5288 | 0.1760 | 0.137* | |
| C13 | 0.4665 (4) | 0.3602 (5) | 0.1931 (2) | 0.0823 (15) | |
| H13A | 0.5101 | 0.4280 | 0.1965 | 0.124* | |
| H13B | 0.4724 | 0.2944 | 0.1705 | 0.124* | |
| H13C | 0.4896 | 0.3319 | 0.2338 | 0.124* | |
| C14 | 0.3194 (4) | 0.4453 (5) | 0.0961 (2) | 0.0828 (15) | |
| H14A | 0.3707 | 0.5052 | 0.1005 | 0.099* | |
| H14B | 0.3208 | 0.3759 | 0.0730 | 0.099* | |
| C15 | 0.2127 (6) | 0.5015 (7) | 0.0600 (3) | 0.116 (2) | |
| H15A | 0.1554 | 0.4514 | 0.0498 | 0.140* | |
| C16 | 0.1935 (7) | 0.6173 (7) | 0.0427 (3) | 0.145 (3) | |
| H16A | 0.2487 | 0.6704 | 0.0520 | 0.174* | |
| H16B | 0.1240 | 0.6460 | 0.0206 | 0.174* | |
| Fe2 | 0.31426 (5) | 0.66103 (5) | 0.38832 (3) | 0.0577 (2) | |
| N2 | 0.1454 (3) | 0.3021 (3) | 0.34554 (17) | 0.0661 (10) | |
| C17 | 0.3271 (7) | 0.8145 (6) | 0.3495 (5) | 0.110 (2) | |
| H17A | 0.2892 | 0.8922 | 0.3427 | 0.131* | |
| C18 | 0.4220 (7) | 0.7851 (9) | 0.3991 (3) | 0.109 (2) | |
| H18A | 0.4645 | 0.8378 | 0.4356 | 0.131* | |
| C19 | 0.4507 (6) | 0.6724 (9) | 0.3925 (4) | 0.118 (3) | |
| H19A | 0.5174 | 0.6302 | 0.4224 | 0.141* | |
| C20 | 0.2927 (6) | 0.7162 (9) | 0.3082 (3) | 0.111 (2) | |
| H20A | 0.2264 | 0.7120 | 0.2670 | 0.133* | |
| C21 | 0.3704 (9) | 0.6271 (6) | 0.3356 (5) | 0.116 (3) | |
| H21A | 0.3698 | 0.5476 | 0.3176 | 0.140* | |
| C22 | 0.2254 (6) | 0.6969 (6) | 0.4232 (4) | 0.103 (2) | |
| H22A | 0.2000 | 0.7784 | 0.4256 | 0.124* | |
| C23 | 0.1718 (4) | 0.6162 (5) | 0.3733 (3) | 0.0792 (14) | |
| H23A | 0.1023 | 0.6309 | 0.3350 | 0.095* | |
| C24 | 0.2357 (3) | 0.5088 (4) | 0.3871 (2) | 0.0569 (11) | |
| C25 | 0.3212 (6) | 0.6439 (6) | 0.4686 (3) | 0.102 (2) | |
| H25A | 0.3746 | 0.6817 | 0.5084 | 0.123* | |
| C26 | 0.3300 (4) | 0.5263 (5) | 0.4473 (2) | 0.0731 (13) | |
| H26A | 0.3893 | 0.4684 | 0.4698 | 0.088* | |
| C27 | 0.2137 (3) | 0.4046 (4) | 0.34492 (19) | 0.0584 (11) | |
| H27A | 0.2809 | 0.3694 | 0.3559 | 0.070* | |
| H27B | 0.1786 | 0.4361 | 0.3030 | 0.070* | |
| C28 | 0.1349 (4) | 0.2021 (4) | 0.3024 (2) | 0.0844 (15) | |
| H28A | 0.0928 | 0.1360 | 0.3025 | 0.127* | |
| H28B | 0.2041 | 0.1717 | 0.3160 | 0.127* | |
| H28C | 0.1010 | 0.2346 | 0.2612 | 0.127* | |
| C29 | 0.0382 (4) | 0.3502 (5) | 0.3243 (3) | 0.107 (2) | |
| H29A | −0.0070 | 0.2830 | 0.3195 | 0.161* | |
| H29B | 0.0082 | 0.3915 | 0.2853 | 0.161* | |
| H29C | 0.0443 | 0.4071 | 0.3544 | 0.161* | |
| C30 | 0.1952 (4) | 0.2503 (5) | 0.4106 (2) | 0.0807 (15) | |
| H30A | 0.2062 | 0.3175 | 0.4382 | 0.097* | |
| H30B | 0.1455 | 0.1934 | 0.4101 | 0.097* | |
| C31 | 0.2962 (5) | 0.1868 (6) | 0.4359 (3) | 0.0953 (17) | |
| H31A | 0.3522 | 0.2322 | 0.4406 | 0.114* | |
| C32 | 0.3117 (6) | 0.0703 (6) | 0.4520 (3) | 0.128 (2) | |
| H32A | 0.2575 | 0.0219 | 0.4480 | 0.154* | |
| H32B | 0.3783 | 0.0362 | 0.4677 | 0.154* | |
| Cl2 | 0.4518 (6) | 0.2080 (7) | 0.3465 (4) | 0.0600 (15) | 0.617 (6) |
| Cl1 | 0.0269 (7) | 0.4646 (9) | 0.1473 (4) | 0.141 (3) | 0.617 (6) |
| O5 | 0.5299 (16) | 0.220 (2) | 0.3347 (10) | 0.154 (7) | 0.617 (6) |
| O6 | 0.5069 (7) | 0.1523 (16) | 0.4056 (4) | 0.139 (4) | 0.617 (6) |
| O7 | 0.3739 (13) | 0.1372 (19) | 0.3074 (7) | 0.191 (8) | 0.617 (6) |
| O8 | 0.4272 (13) | 0.3283 (8) | 0.3485 (12) | 0.167 (7) | 0.617 (6) |
| O1 | 0.0203 (8) | 0.3776 (10) | 0.1042 (4) | 0.173 (4) | 0.617 (6) |
| O2 | 0.1362 (6) | 0.4198 (13) | 0.1996 (3) | 0.153 (4) | 0.617 (6) |
| O3 | 0.0544 (18) | 0.579 (2) | 0.166 (2) | 0.311 (8) | 0.617 (6) |
| O4 | −0.0535 (12) | 0.435 (2) | 0.1584 (13) | 0.192 (6) | 0.617 (6) |
| Cl2' | 0.4528 (16) | 0.2164 (19) | 0.3435 (11) | 0.108 (5)* | 0.383 (6) |
| Cl1' | 0.0375 (7) | 0.4629 (7) | 0.1546 (3) | 0.0577 (16)* | 0.383 (6) |
| O3' | −0.0217 (13) | 0.5417 (16) | 0.0974 (5) | 0.154 (7) | 0.383 (6) |
| O8' | 0.3523 (15) | 0.276 (3) | 0.2971 (6) | 0.145 (7) | 0.383 (6) |
| O6' | 0.4711 (15) | 0.281 (3) | 0.3921 (9) | 0.162 (11) | 0.383 (6) |
| O7' | 0.408 (3) | 0.101 (2) | 0.341 (2) | 0.225 (19) | 0.383 (6) |
| O4' | −0.014 (2) | 0.468 (4) | 0.180 (2) | 0.192 (6) | 0.383 (6) |
| O5' | 0.511 (2) | 0.199 (3) | 0.3184 (12) | 0.121 (11) | 0.383 (6) |
| O1' | 0.104 (3) | 0.547 (4) | 0.178 (3) | 0.311 (8) | 0.383 (6) |
| O2' | 0.0743 (17) | 0.3640 (18) | 0.1613 (10) | 0.175 (4) | 0.383 (6) |
| Fe1 | 0.0552 (4) | 0.0534 (4) | 0.0562 (4) | −0.0074 (3) | 0.0356 (3) | −0.0046 (3) |
| N1 | 0.077 (2) | 0.061 (2) | 0.079 (3) | −0.0210 (19) | 0.057 (2) | −0.023 (2) |
| C1 | 0.059 (3) | 0.070 (3) | 0.054 (3) | −0.009 (2) | 0.037 (2) | 0.001 (2) |
| C2 | 0.085 (4) | 0.078 (4) | 0.085 (4) | −0.025 (3) | 0.063 (3) | −0.029 (3) |
| C3 | 0.076 (3) | 0.057 (3) | 0.122 (5) | 0.002 (2) | 0.070 (4) | −0.015 (3) |
| C4 | 0.049 (2) | 0.069 (3) | 0.080 (3) | −0.006 (2) | 0.035 (2) | −0.001 (3) |
| C5 | 0.053 (2) | 0.057 (3) | 0.059 (3) | −0.0115 (19) | 0.039 (2) | −0.009 (2) |
| C6 | 0.114 (5) | 0.090 (4) | 0.121 (5) | −0.018 (4) | 0.098 (5) | −0.013 (4) |
| C7 | 0.091 (4) | 0.112 (5) | 0.062 (3) | −0.025 (4) | 0.042 (3) | 0.013 (3) |
| C8 | 0.123 (5) | 0.057 (3) | 0.146 (6) | −0.009 (3) | 0.099 (5) | 0.014 (4) |
| C9 | 0.099 (5) | 0.129 (6) | 0.077 (4) | −0.063 (4) | 0.058 (4) | −0.034 (4) |
| C10 | 0.063 (3) | 0.126 (6) | 0.107 (5) | 0.003 (3) | 0.057 (4) | 0.042 (4) |
| C11 | 0.068 (3) | 0.060 (3) | 0.077 (3) | −0.018 (2) | 0.054 (3) | −0.017 (2) |
| C12 | 0.119 (4) | 0.077 (3) | 0.115 (4) | −0.033 (3) | 0.088 (4) | −0.043 (3) |
| C13 | 0.066 (3) | 0.095 (4) | 0.093 (4) | −0.025 (3) | 0.048 (3) | −0.019 (3) |
| C14 | 0.106 (4) | 0.070 (3) | 0.085 (4) | −0.014 (3) | 0.062 (4) | −0.008 (3) |
| C15 | 0.127 (6) | 0.091 (5) | 0.117 (5) | −0.010 (4) | 0.059 (5) | 0.008 (4) |
| C16 | 0.171 (7) | 0.113 (6) | 0.117 (6) | 0.015 (5) | 0.058 (5) | 0.013 (5) |
| Fe2 | 0.0790 (5) | 0.0511 (4) | 0.0594 (4) | −0.0075 (3) | 0.0487 (4) | −0.0040 (3) |
| N2 | 0.076 (2) | 0.065 (2) | 0.080 (3) | −0.0181 (19) | 0.058 (2) | −0.023 (2) |
| C17 | 0.157 (7) | 0.065 (4) | 0.153 (7) | 0.006 (4) | 0.114 (6) | 0.031 (5) |
| C18 | 0.118 (6) | 0.139 (7) | 0.094 (5) | −0.065 (5) | 0.073 (5) | −0.030 (5) |
| C19 | 0.109 (5) | 0.143 (7) | 0.149 (8) | 0.033 (5) | 0.101 (6) | 0.056 (6) |
| C20 | 0.132 (6) | 0.142 (7) | 0.057 (4) | −0.030 (5) | 0.052 (4) | 0.021 (4) |
| C21 | 0.228 (9) | 0.070 (4) | 0.155 (7) | −0.037 (5) | 0.171 (7) | −0.021 (5) |
| C22 | 0.153 (6) | 0.073 (4) | 0.153 (6) | −0.025 (4) | 0.128 (6) | −0.038 (4) |
| C23 | 0.079 (3) | 0.069 (3) | 0.111 (4) | −0.004 (3) | 0.065 (3) | −0.006 (3) |
| C24 | 0.069 (3) | 0.052 (3) | 0.069 (3) | −0.008 (2) | 0.050 (3) | −0.008 (2) |
| C25 | 0.164 (6) | 0.105 (5) | 0.073 (4) | −0.072 (5) | 0.088 (4) | −0.040 (4) |
| C26 | 0.090 (4) | 0.076 (3) | 0.053 (3) | −0.020 (3) | 0.040 (3) | 0.003 (2) |
| C27 | 0.068 (3) | 0.057 (3) | 0.067 (3) | −0.011 (2) | 0.048 (2) | −0.009 (2) |
| C28 | 0.109 (4) | 0.074 (3) | 0.087 (4) | −0.034 (3) | 0.065 (3) | −0.041 (3) |
| C29 | 0.070 (3) | 0.107 (5) | 0.165 (6) | −0.017 (3) | 0.078 (4) | −0.027 (4) |
| C30 | 0.124 (5) | 0.063 (3) | 0.090 (4) | −0.025 (3) | 0.081 (4) | −0.021 (3) |
| C31 | 0.105 (5) | 0.088 (4) | 0.091 (4) | −0.010 (4) | 0.054 (4) | −0.003 (3) |
| C32 | 0.159 (6) | 0.087 (5) | 0.121 (5) | −0.006 (4) | 0.068 (5) | −0.003 (4) |
| Cl2 | 0.0578 (19) | 0.0518 (16) | 0.083 (3) | 0.0009 (10) | 0.0474 (18) | −0.0096 (13) |
| Cl1 | 0.085 (3) | 0.143 (4) | 0.182 (6) | 0.034 (3) | 0.066 (3) | −0.020 (3) |
| O5 | 0.139 (10) | 0.120 (9) | 0.28 (2) | −0.016 (7) | 0.168 (13) | −0.030 (10) |
| O6 | 0.143 (8) | 0.191 (10) | 0.073 (5) | 0.042 (8) | 0.054 (5) | 0.005 (6) |
| O7 | 0.175 (10) | 0.200 (18) | 0.118 (8) | −0.128 (12) | 0.032 (8) | −0.051 (9) |
| O8 | 0.148 (13) | 0.057 (5) | 0.33 (2) | 0.018 (6) | 0.157 (16) | −0.008 (10) |
| O1 | 0.170 (8) | 0.194 (8) | 0.130 (7) | 0.023 (6) | 0.069 (7) | −0.057 (7) |
| O2 | 0.086 (5) | 0.290 (13) | 0.072 (5) | 0.042 (7) | 0.036 (4) | −0.015 (6) |
| O3 | 0.19 (2) | 0.130 (13) | 0.61 (3) | 0.012 (11) | 0.22 (2) | −0.067 (16) |
| O4 | 0.106 (12) | 0.175 (13) | 0.35 (2) | −0.039 (7) | 0.159 (15) | −0.067 (10) |
| O3' | 0.172 (14) | 0.171 (14) | 0.074 (8) | 0.100 (12) | 0.041 (8) | 0.045 (9) |
| O8' | 0.109 (11) | 0.23 (2) | 0.095 (10) | 0.066 (12) | 0.057 (9) | 0.005 (11) |
| O6' | 0.100 (12) | 0.26 (3) | 0.092 (11) | −0.018 (16) | 0.035 (10) | −0.080 (15) |
| O7' | 0.39 (4) | 0.082 (11) | 0.41 (5) | −0.058 (18) | 0.35 (5) | −0.02 (2) |
| O4' | 0.106 (12) | 0.175 (13) | 0.35 (2) | −0.037 (8) | 0.160 (15) | −0.067 (10) |
| O5' | 0.16 (2) | 0.15 (2) | 0.123 (11) | 0.078 (17) | 0.123 (13) | 0.053 (13) |
| O1' | 0.19 (2) | 0.130 (13) | 0.61 (3) | 0.012 (11) | 0.22 (2) | −0.067 (16) |
| O2' | 0.171 (8) | 0.194 (8) | 0.133 (7) | 0.024 (7) | 0.068 (7) | −0.056 (8) |
| Fe1—C5 | 2.024 (4) | Fe2—C22 | 2.036 (5) |
| Fe1—C9 | 2.026 (5) | Fe2—C25 | 2.038 (5) |
| Fe1—C7 | 2.026 (5) | N2—C29 | 1.490 (6) |
| Fe1—C6 | 2.029 (5) | N2—C28 | 1.503 (5) |
| Fe1—C1 | 2.032 (4) | N2—C30 | 1.523 (6) |
| Fe1—C10 | 2.034 (5) | N2—C27 | 1.527 (5) |
| Fe1—C4 | 2.035 (4) | C17—C18 | 1.329 (9) |
| Fe1—C8 | 2.042 (5) | C17—C20 | 1.393 (9) |
| Fe1—C3 | 2.046 (4) | C17—H17A | 0.9800 |
| Fe1—C2 | 2.051 (4) | C18—C19 | 1.343 (9) |
| N1—C12 | 1.500 (5) | C18—H18A | 0.9800 |
| N1—C13 | 1.501 (6) | C19—C21 | 1.379 (10) |
| N1—C14 | 1.505 (6) | C19—H19A | 0.9800 |
| N1—C11 | 1.528 (5) | C20—C21 | 1.377 (9) |
| C1—C2 | 1.398 (6) | C20—H20A | 0.9800 |
| C1—C5 | 1.428 (5) | C21—H21A | 0.9800 |
| C1—H1A | 0.9800 | C22—C25 | 1.388 (8) |
| C2—C3 | 1.394 (7) | C22—C23 | 1.390 (7) |
| C2—H2A | 0.9800 | C22—H22A | 0.9800 |
| C3—C4 | 1.415 (6) | C23—C24 | 1.428 (6) |
| C3—H3A | 0.9800 | C23—H23A | 0.9800 |
| C4—C5 | 1.426 (6) | C24—C26 | 1.428 (6) |
| C4—H4A | 0.9800 | C24—C27 | 1.478 (5) |
| C5—C11 | 1.484 (5) | C25—C26 | 1.428 (7) |
| C6—C10 | 1.354 (8) | C25—H25A | 0.9800 |
| C6—C7 | 1.372 (8) | C26—H26A | 0.9800 |
| C6—H6A | 0.9800 | C27—H27A | 0.9700 |
| C7—C8 | 1.410 (7) | C27—H27B | 0.9700 |
| C7—H7A | 0.9800 | C28—H28A | 0.9600 |
| C8—C9 | 1.397 (8) | C28—H28B | 0.9600 |
| C8—H8A | 0.9800 | C28—H28C | 0.9600 |
| C9—C10 | 1.380 (8) | C29—H29A | 0.9600 |
| C9—H9A | 0.9800 | C29—H29B | 0.9600 |
| C10—H10A | 0.9800 | C29—H29C | 0.9600 |
| C11—H11A | 0.9700 | C30—C31 | 1.460 (7) |
| C11—H11B | 0.9700 | C30—H30A | 0.9700 |
| C12—H12A | 0.9600 | C30—H30B | 0.9700 |
| C12—H12B | 0.9600 | C31—C32 | 1.312 (7) |
| C12—H12C | 0.9600 | C31—H31A | 0.9301 |
| C13—H13A | 0.9600 | C32—H32A | 0.9301 |
| C13—H13B | 0.9600 | C32—H32B | 0.9299 |
| C13—H13C | 0.9600 | Cl2—O7 | 1.296 (13) |
| C14—C15 | 1.477 (8) | Cl2—O8 | 1.367 (12) |
| C14—H14A | 0.9700 | Cl2—O5 | 1.386 (18) |
| C14—H14B | 0.9700 | Cl2—O6 | 1.412 (13) |
| C15—C16 | 1.313 (8) | Cl1—O3 | 1.31 (3) |
| C15—H15A | 0.9299 | Cl1—O1 | 1.426 (11) |
| C16—H16A | 0.9300 | Cl1—O4 | 1.44 (2) |
| C16—H16B | 0.9300 | Cl1—O2 | 1.523 (11) |
| Fe2—C21 | 2.009 (14) | Cl2'—O6' | 1.33 (2) |
| Fe2—C20 | 2.009 (5) | Cl2'—O5' | 1.37 (3) |
| Fe2—C18 | 2.013 (6) | Cl2'—O7' | 1.42 (3) |
| Fe2—C17 | 2.013 (5) | Cl2'—O8' | 1.47 (2) |
| Fe2—C19 | 2.015 (6) | Cl1'—O2' | 1.18 (2) |
| Fe2—C24 | 2.027 (4) | Cl1'—O1' | 1.24 (5) |
| Fe2—C23 | 2.029 (5) | Cl1'—O4' | 1.28 (4) |
| Fe2—C26 | 2.034 (4) | Cl1'—O3' | 1.503 (15) |
| C5—Fe1—C9 | 158.0 (3) | C18—Fe2—C24 | 166.4 (4) |
| C5—Fe1—C7 | 121.9 (2) | C17—Fe2—C24 | 152.5 (3) |
| C9—Fe1—C7 | 67.0 (2) | C19—Fe2—C24 | 128.9 (3) |
| C5—Fe1—C6 | 106.8 (2) | C21—Fe2—C23 | 129.4 (3) |
| C9—Fe1—C6 | 66.3 (2) | C20—Fe2—C23 | 109.3 (3) |
| C7—Fe1—C6 | 39.5 (2) | C18—Fe2—C23 | 151.9 (4) |
| C5—Fe1—C1 | 41.23 (16) | C17—Fe2—C23 | 119.5 (3) |
| C9—Fe1—C1 | 123.5 (2) | C19—Fe2—C23 | 167.6 (4) |
| C7—Fe1—C1 | 158.4 (2) | C24—Fe2—C23 | 41.21 (17) |
| C6—Fe1—C1 | 123.2 (2) | C21—Fe2—C26 | 117.7 (3) |
| C5—Fe1—C10 | 121.8 (2) | C20—Fe2—C26 | 151.4 (3) |
| C9—Fe1—C10 | 39.7 (2) | C18—Fe2—C26 | 129.1 (3) |
| C7—Fe1—C10 | 66.3 (2) | C17—Fe2—C26 | 165.8 (3) |
| C6—Fe1—C10 | 38.9 (2) | C19—Fe2—C26 | 108.5 (2) |
| C1—Fe1—C10 | 108.5 (2) | C24—Fe2—C26 | 41.17 (17) |
| C5—Fe1—C4 | 41.14 (16) | C23—Fe2—C26 | 68.8 (2) |
| C9—Fe1—C4 | 160.4 (3) | C21—Fe2—C22 | 167.2 (4) |
| C7—Fe1—C4 | 107.3 (2) | C20—Fe2—C22 | 129.6 (4) |
| C6—Fe1—C4 | 122.2 (2) | C18—Fe2—C22 | 119.8 (3) |
| C1—Fe1—C4 | 68.86 (18) | C17—Fe2—C22 | 109.7 (3) |
| C10—Fe1—C4 | 157.2 (3) | C19—Fe2—C22 | 151.5 (4) |
| C5—Fe1—C8 | 158.8 (3) | C24—Fe2—C22 | 68.56 (19) |
| C9—Fe1—C8 | 40.2 (2) | C23—Fe2—C22 | 40.0 (2) |
| C7—Fe1—C8 | 40.6 (2) | C26—Fe2—C22 | 68.4 (2) |
| C6—Fe1—C8 | 67.2 (2) | C21—Fe2—C25 | 151.8 (4) |
| C1—Fe1—C8 | 159.2 (3) | C20—Fe2—C25 | 166.7 (4) |
| C10—Fe1—C8 | 67.3 (2) | C18—Fe2—C25 | 110.1 (2) |
| C4—Fe1—C8 | 123.3 (2) | C17—Fe2—C25 | 128.6 (3) |
| C5—Fe1—C3 | 68.33 (17) | C19—Fe2—C25 | 119.0 (3) |
| C9—Fe1—C3 | 125.7 (3) | C24—Fe2—C25 | 68.71 (19) |
| C7—Fe1—C3 | 124.2 (3) | C23—Fe2—C25 | 67.5 (2) |
| C6—Fe1—C3 | 158.8 (3) | C26—Fe2—C25 | 41.1 (2) |
| C1—Fe1—C3 | 67.58 (19) | C22—Fe2—C25 | 39.8 (2) |
| C10—Fe1—C3 | 161.1 (3) | C29—N2—C28 | 109.6 (4) |
| C4—Fe1—C3 | 40.59 (18) | C29—N2—C30 | 107.8 (4) |
| C8—Fe1—C3 | 109.4 (2) | C28—N2—C30 | 110.0 (4) |
| C5—Fe1—C2 | 68.27 (17) | C29—N2—C27 | 110.3 (4) |
| C9—Fe1—C2 | 110.5 (2) | C28—N2—C27 | 108.0 (3) |
| C7—Fe1—C2 | 160.0 (3) | C30—N2—C27 | 111.1 (3) |
| C6—Fe1—C2 | 159.5 (3) | C18—C17—C20 | 107.6 (6) |
| C1—Fe1—C2 | 40.06 (17) | C18—C17—Fe2 | 70.7 (4) |
| C10—Fe1—C2 | 125.4 (2) | C20—C17—Fe2 | 69.6 (3) |
| C4—Fe1—C2 | 68.03 (19) | C18—C17—H17A | 126.2 |
| C8—Fe1—C2 | 124.4 (2) | C20—C17—H17A | 126.2 |
| C3—Fe1—C2 | 39.77 (19) | Fe2—C17—H17A | 126.2 |
| C12—N1—C13 | 108.3 (4) | C17—C18—C19 | 110.3 (7) |
| C12—N1—C14 | 111.5 (4) | C17—C18—Fe2 | 70.7 (3) |
| C13—N1—C14 | 108.0 (4) | C19—C18—Fe2 | 70.6 (4) |
| C12—N1—C11 | 107.5 (3) | C17—C18—H18A | 124.8 |
| C13—N1—C11 | 110.2 (3) | C19—C18—H18A | 124.8 |
| C14—N1—C11 | 111.3 (3) | Fe2—C18—H18A | 124.8 |
| C2—C1—C5 | 108.0 (4) | C18—C19—C21 | 107.9 (7) |
| C2—C1—Fe1 | 70.7 (3) | C18—C19—Fe2 | 70.5 (4) |
| C5—C1—Fe1 | 69.1 (2) | C21—C19—Fe2 | 69.7 (4) |
| C2—C1—H1A | 126.0 | C18—C19—H19A | 126.1 |
| C5—C1—H1A | 126.0 | C21—C19—H19A | 126.1 |
| Fe1—C1—H1A | 126.0 | Fe2—C19—H19A | 126.1 |
| C3—C2—C1 | 108.6 (4) | C21—C20—C17 | 107.1 (6) |
| C3—C2—Fe1 | 69.9 (3) | C21—C20—Fe2 | 69.9 (3) |
| C1—C2—Fe1 | 69.2 (2) | C17—C20—Fe2 | 69.9 (3) |
| C3—C2—H2A | 125.7 | C21—C20—H20A | 126.4 |
| C1—C2—H2A | 125.7 | C17—C20—H20A | 126.4 |
| Fe1—C2—H2A | 125.7 | Fe2—C20—H20A | 126.4 |
| C2—C3—C4 | 108.9 (4) | C20—C21—C19 | 107.1 (6) |
| C2—C3—Fe1 | 70.3 (3) | C20—C21—Fe2 | 70.0 (7) |
| C4—C3—Fe1 | 69.3 (2) | C19—C21—Fe2 | 70.2 (7) |
| C2—C3—H3A | 125.5 | C20—C21—H21A | 126.4 |
| C4—C3—H3A | 125.5 | C19—C21—H21A | 126.4 |
| Fe1—C3—H3A | 125.5 | Fe2—C21—H21A | 126.4 |
| C3—C4—C5 | 107.1 (4) | C25—C22—C23 | 108.8 (5) |
| C3—C4—Fe1 | 70.1 (3) | C25—C22—Fe2 | 70.1 (3) |
| C5—C4—Fe1 | 69.0 (2) | C23—C22—Fe2 | 69.7 (3) |
| C3—C4—H4A | 126.5 | C25—C22—H22A | 125.6 |
| C5—C4—H4A | 126.5 | C23—C22—H22A | 125.6 |
| Fe1—C4—H4A | 126.5 | Fe2—C22—H22A | 125.6 |
| C4—C5—C1 | 107.3 (4) | C22—C23—C24 | 108.6 (5) |
| C4—C5—C11 | 125.3 (4) | C22—C23—Fe2 | 70.3 (3) |
| C1—C5—C11 | 127.1 (4) | C24—C23—Fe2 | 69.3 (2) |
| C4—C5—Fe1 | 69.8 (2) | C22—C23—H23A | 125.7 |
| C1—C5—Fe1 | 69.7 (2) | C24—C23—H23A | 125.7 |
| C11—C5—Fe1 | 121.7 (2) | Fe2—C23—H23A | 125.7 |
| C10—C6—C7 | 109.2 (6) | C23—C24—C26 | 106.9 (4) |
| C10—C6—Fe1 | 70.7 (3) | C23—C24—C27 | 126.8 (4) |
| C7—C6—Fe1 | 70.1 (3) | C26—C24—C27 | 126.0 (4) |
| C10—C6—H6A | 125.4 | C23—C24—Fe2 | 69.5 (2) |
| C7—C6—H6A | 125.4 | C26—C24—Fe2 | 69.7 (2) |
| Fe1—C6—H6A | 125.4 | C27—C24—Fe2 | 121.6 (3) |
| C6—C7—C8 | 108.2 (5) | C22—C25—C26 | 108.7 (5) |
| C6—C7—Fe1 | 70.3 (3) | C22—C25—Fe2 | 70.0 (3) |
| C8—C7—Fe1 | 70.3 (3) | C26—C25—Fe2 | 69.3 (3) |
| C6—C7—H7A | 125.9 | C22—C25—H25A | 125.6 |
| C8—C7—H7A | 125.9 | C26—C25—H25A | 125.6 |
| Fe1—C7—H7A | 125.9 | Fe2—C25—H25A | 125.6 |
| C9—C8—C7 | 105.6 (5) | C25—C26—C24 | 106.9 (5) |
| C9—C8—Fe1 | 69.3 (3) | C25—C26—Fe2 | 69.6 (3) |
| C7—C8—Fe1 | 69.1 (3) | C24—C26—Fe2 | 69.2 (2) |
| C9—C8—H8A | 127.2 | C25—C26—H26A | 126.5 |
| C7—C8—H8A | 127.2 | C24—C26—H26A | 126.5 |
| Fe1—C8—H8A | 127.2 | Fe2—C26—H26A | 126.5 |
| C10—C9—C8 | 108.7 (5) | C24—C27—N2 | 115.1 (3) |
| C10—C9—Fe1 | 70.4 (3) | C24—C27—H27A | 108.5 |
| C8—C9—Fe1 | 70.5 (3) | N2—C27—H27A | 108.5 |
| C10—C9—H9A | 125.6 | C24—C27—H27B | 108.5 |
| C8—C9—H9A | 125.6 | N2—C27—H27B | 108.5 |
| Fe1—C9—H9A | 125.6 | H27A—C27—H27B | 107.5 |
| C6—C10—C9 | 108.3 (6) | N2—C28—H28A | 109.5 |
| C6—C10—Fe1 | 70.3 (3) | N2—C28—H28B | 109.5 |
| C9—C10—Fe1 | 69.8 (3) | H28A—C28—H28B | 109.5 |
| C6—C10—H10A | 125.8 | N2—C28—H28C | 109.5 |
| C9—C10—H10A | 125.8 | H28A—C28—H28C | 109.5 |
| Fe1—C10—H10A | 125.8 | H28B—C28—H28C | 109.5 |
| C5—C11—N1 | 114.8 (3) | N2—C29—H29A | 109.5 |
| C5—C11—H11A | 108.6 | N2—C29—H29B | 109.5 |
| N1—C11—H11A | 108.6 | H29A—C29—H29B | 109.5 |
| C5—C11—H11B | 108.6 | N2—C29—H29C | 109.5 |
| N1—C11—H11B | 108.6 | H29A—C29—H29C | 109.5 |
| H11A—C11—H11B | 107.6 | H29B—C29—H29C | 109.5 |
| N1—C12—H12A | 109.5 | C31—C30—N2 | 114.9 (4) |
| N1—C12—H12B | 109.5 | C31—C30—H30A | 108.5 |
| H12A—C12—H12B | 109.5 | N2—C30—H30A | 108.5 |
| N1—C12—H12C | 109.5 | C31—C30—H30B | 108.5 |
| H12A—C12—H12C | 109.5 | N2—C30—H30B | 108.5 |
| H12B—C12—H12C | 109.5 | H30A—C30—H30B | 107.5 |
| N1—C13—H13A | 109.5 | C32—C31—C30 | 123.8 (6) |
| N1—C13—H13B | 109.5 | C32—C31—H31A | 118.7 |
| H13A—C13—H13B | 109.5 | C30—C31—H31A | 117.5 |
| N1—C13—H13C | 109.5 | C31—C32—H32A | 121.2 |
| H13A—C13—H13C | 109.5 | C31—C32—H32B | 118.8 |
| H13B—C13—H13C | 109.5 | H32A—C32—H32B | 120.0 |
| C15—C14—N1 | 114.1 (4) | O7—Cl2—O8 | 116.6 (11) |
| C15—C14—H14A | 108.7 | O7—Cl2—O5 | 113.6 (13) |
| N1—C14—H14A | 108.7 | O8—Cl2—O5 | 101.6 (11) |
| C15—C14—H14B | 108.7 | O7—Cl2—O6 | 109.1 (9) |
| N1—C14—H14B | 108.7 | O8—Cl2—O6 | 112.2 (9) |
| H14A—C14—H14B | 107.6 | O5—Cl2—O6 | 102.8 (10) |
| C16—C15—C14 | 124.7 (7) | O3—Cl1—O1 | 141 (2) |
| C16—C15—H15A | 117.9 | O3—Cl1—O4 | 105.6 (16) |
| C14—C15—H15A | 117.4 | O1—Cl1—O4 | 108.4 (11) |
| C15—C16—H16A | 120.6 | O3—Cl1—O2 | 90.6 (14) |
| C15—C16—H16B | 119.4 | O1—Cl1—O2 | 93.1 (7) |
| H16A—C16—H16B | 120.0 | O4—Cl1—O2 | 111.9 (13) |
| C21—Fe2—C20 | 40.1 (3) | O6'—Cl2'—O5' | 132 (2) |
| C21—Fe2—C18 | 66.3 (3) | O6'—Cl2'—O7' | 111 (2) |
| C20—Fe2—C18 | 66.2 (3) | O5'—Cl2'—O7' | 107 (2) |
| C21—Fe2—C17 | 67.3 (3) | O6'—Cl2'—O8' | 96.7 (17) |
| C20—Fe2—C17 | 40.5 (3) | O5'—Cl2'—O8' | 108.5 (19) |
| C18—Fe2—C17 | 38.6 (3) | O7'—Cl2'—O8' | 96 (2) |
| C21—Fe2—C19 | 40.1 (3) | O2'—Cl1'—O1' | 114.1 (17) |
| C20—Fe2—C19 | 66.9 (3) | O2'—Cl1'—O4' | 110 (2) |
| C18—Fe2—C19 | 38.9 (3) | O1'—Cl1'—O4' | 107 (3) |
| C17—Fe2—C19 | 66.0 (3) | O2'—Cl1'—O3' | 129.6 (12) |
| C21—Fe2—C24 | 107.9 (2) | O1'—Cl1'—O3' | 86 (3) |
| C20—Fe2—C24 | 118.1 (3) | O4'—Cl1'—O3' | 107 (2) |
| C5—Fe1—C1—C2 | 119.0 (4) | C21—Fe2—C17—C18 | −80.0 (5) |
| C9—Fe1—C1—C2 | −82.2 (4) | C20—Fe2—C17—C18 | −118.1 (6) |
| C7—Fe1—C1—C2 | 164.3 (5) | C19—Fe2—C17—C18 | −36.2 (4) |
| C6—Fe1—C1—C2 | −163.9 (3) | C24—Fe2—C17—C18 | −165.4 (5) |
| C10—Fe1—C1—C2 | −123.6 (4) | C23—Fe2—C17—C18 | 156.3 (5) |
| C4—Fe1—C1—C2 | 80.6 (3) | C26—Fe2—C17—C18 | 33.7 (12) |
| C8—Fe1—C1—C2 | −49.1 (7) | C22—Fe2—C17—C18 | 113.4 (5) |
| C3—Fe1—C1—C2 | 36.7 (3) | C25—Fe2—C17—C18 | 72.7 (6) |
| C9—Fe1—C1—C5 | 158.8 (3) | C21—Fe2—C17—C20 | 38.1 (4) |
| C7—Fe1—C1—C5 | 45.3 (6) | C18—Fe2—C17—C20 | 118.1 (6) |
| C6—Fe1—C1—C5 | 77.1 (3) | C19—Fe2—C17—C20 | 81.9 (5) |
| C10—Fe1—C1—C5 | 117.5 (3) | C24—Fe2—C17—C20 | −47.3 (7) |
| C4—Fe1—C1—C5 | −38.4 (2) | C23—Fe2—C17—C20 | −85.6 (5) |
| C8—Fe1—C1—C5 | −168.1 (5) | C26—Fe2—C17—C20 | 151.8 (9) |
| C3—Fe1—C1—C5 | −82.2 (3) | C22—Fe2—C17—C20 | −128.5 (5) |
| C2—Fe1—C1—C5 | −119.0 (4) | C25—Fe2—C17—C20 | −169.2 (5) |
| C5—C1—C2—C3 | 0.3 (5) | C20—C17—C18—C19 | −0.5 (7) |
| Fe1—C1—C2—C3 | −59.0 (3) | Fe2—C17—C18—C19 | 59.7 (5) |
| C5—C1—C2—Fe1 | 59.2 (3) | C20—C17—C18—Fe2 | −60.1 (4) |
| C5—Fe1—C2—C3 | 81.8 (3) | C21—Fe2—C18—C17 | 82.8 (5) |
| C9—Fe1—C2—C3 | −121.7 (4) | C20—Fe2—C18—C17 | 38.8 (4) |
| C7—Fe1—C2—C3 | −42.9 (7) | C19—Fe2—C18—C17 | 120.9 (7) |
| C6—Fe1—C2—C3 | 161.5 (6) | C24—Fe2—C18—C17 | 150.2 (8) |
| C1—Fe1—C2—C3 | 120.2 (4) | C23—Fe2—C18—C17 | −47.9 (7) |
| C10—Fe1—C2—C3 | −163.9 (4) | C26—Fe2—C18—C17 | −169.9 (4) |
| C4—Fe1—C2—C3 | 37.3 (3) | C22—Fe2—C18—C17 | −84.6 (5) |
| C8—Fe1—C2—C3 | −78.9 (4) | C25—Fe2—C18—C17 | −127.4 (5) |
| C5—Fe1—C2—C1 | −38.4 (3) | C21—Fe2—C18—C19 | −38.1 (5) |
| C9—Fe1—C2—C1 | 118.1 (4) | C20—Fe2—C18—C19 | −82.1 (5) |
| C7—Fe1—C2—C1 | −163.0 (5) | C17—Fe2—C18—C19 | −120.9 (7) |
| C6—Fe1—C2—C1 | 41.3 (7) | C24—Fe2—C18—C19 | 29.3 (12) |
| C10—Fe1—C2—C1 | 76.0 (4) | C23—Fe2—C18—C19 | −168.8 (5) |
| C4—Fe1—C2—C1 | −82.9 (3) | C26—Fe2—C18—C19 | 69.2 (6) |
| C8—Fe1—C2—C1 | 161.0 (3) | C22—Fe2—C18—C19 | 154.5 (5) |
| C3—Fe1—C2—C1 | −120.2 (4) | C25—Fe2—C18—C19 | 111.7 (6) |
| C1—C2—C3—C4 | −0.1 (5) | C17—C18—C19—C21 | 0.2 (7) |
| Fe1—C2—C3—C4 | −58.7 (3) | Fe2—C18—C19—C21 | 59.9 (4) |
| C1—C2—C3—Fe1 | 58.5 (3) | C17—C18—C19—Fe2 | −59.7 (4) |
| C5—Fe1—C3—C2 | −81.6 (3) | C21—Fe2—C19—C18 | 118.6 (6) |
| C9—Fe1—C3—C2 | 79.0 (4) | C20—Fe2—C19—C18 | 80.2 (5) |
| C7—Fe1—C3—C2 | 163.7 (3) | C17—Fe2—C19—C18 | 35.8 (4) |
| C6—Fe1—C3—C2 | −162.1 (6) | C24—Fe2—C19—C18 | −171.5 (4) |
| C1—Fe1—C3—C2 | −37.0 (3) | C23—Fe2—C19—C18 | 154.8 (10) |
| C10—Fe1—C3—C2 | 44.5 (8) | C26—Fe2—C19—C18 | −130.1 (5) |
| C4—Fe1—C3—C2 | −120.2 (4) | C22—Fe2—C19—C18 | −51.5 (8) |
| C8—Fe1—C3—C2 | 120.9 (3) | C25—Fe2—C19—C18 | −86.5 (5) |
| C5—Fe1—C3—C4 | 38.6 (3) | C20—Fe2—C19—C21 | −38.4 (4) |
| C9—Fe1—C3—C4 | −160.8 (3) | C18—Fe2—C19—C21 | −118.6 (6) |
| C7—Fe1—C3—C4 | −76.1 (4) | C17—Fe2—C19—C21 | −82.7 (5) |
| C6—Fe1—C3—C4 | −41.9 (7) | C24—Fe2—C19—C21 | 69.9 (5) |
| C1—Fe1—C3—C4 | 83.2 (3) | C23—Fe2—C19—C21 | 36.2 (14) |
| C10—Fe1—C3—C4 | 164.7 (6) | C26—Fe2—C19—C21 | 111.3 (5) |
| C8—Fe1—C3—C4 | −118.9 (4) | C22—Fe2—C19—C21 | −170.0 (6) |
| C2—Fe1—C3—C4 | 120.2 (4) | C25—Fe2—C19—C21 | 155.0 (5) |
| C2—C3—C4—C5 | −0.1 (5) | C18—C17—C20—C21 | 0.6 (7) |
| Fe1—C3—C4—C5 | −59.4 (3) | Fe2—C17—C20—C21 | −60.3 (4) |
| C2—C3—C4—Fe1 | 59.3 (3) | C18—C17—C20—Fe2 | 60.8 (4) |
| C5—Fe1—C4—C3 | −118.2 (4) | C18—Fe2—C20—C21 | 81.0 (5) |
| C9—Fe1—C4—C3 | 52.9 (7) | C17—Fe2—C20—C21 | 117.9 (6) |
| C7—Fe1—C4—C3 | 122.7 (4) | C19—Fe2—C20—C21 | 38.3 (4) |
| C6—Fe1—C4—C3 | 163.4 (4) | C24—Fe2—C20—C21 | −84.7 (5) |
| C1—Fe1—C4—C3 | −79.8 (3) | C23—Fe2—C20—C21 | −129.0 (5) |
| C10—Fe1—C4—C3 | −167.3 (5) | C26—Fe2—C20—C21 | −48.1 (7) |
| C8—Fe1—C4—C3 | 81.1 (4) | C22—Fe2—C20—C21 | −169.2 (4) |
| C2—Fe1—C4—C3 | −36.6 (3) | C25—Fe2—C20—C21 | 157.3 (11) |
| C9—Fe1—C4—C5 | 171.1 (5) | C21—Fe2—C20—C17 | −117.9 (6) |
| C7—Fe1—C4—C5 | −119.0 (3) | C18—Fe2—C20—C17 | −36.9 (4) |
| C6—Fe1—C4—C5 | −78.3 (4) | C19—Fe2—C20—C17 | −79.5 (5) |
| C1—Fe1—C4—C5 | 38.5 (2) | C24—Fe2—C20—C17 | 157.4 (4) |
| C10—Fe1—C4—C5 | −49.1 (6) | C23—Fe2—C20—C17 | 113.1 (5) |
| C8—Fe1—C4—C5 | −160.7 (3) | C26—Fe2—C20—C17 | −166.0 (5) |
| C3—Fe1—C4—C5 | 118.2 (4) | C22—Fe2—C20—C17 | 72.9 (5) |
| C2—Fe1—C4—C5 | 81.7 (3) | C25—Fe2—C20—C17 | 39.4 (13) |
| C3—C4—C5—C1 | 0.2 (4) | C17—C20—C21—C19 | −0.4 (7) |
| Fe1—C4—C5—C1 | −59.9 (3) | Fe2—C20—C21—C19 | −60.7 (4) |
| C3—C4—C5—C11 | 175.3 (4) | C17—C20—C21—Fe2 | 60.3 (4) |
| Fe1—C4—C5—C11 | 115.2 (4) | C18—C19—C21—C20 | 0.2 (7) |
| C3—C4—C5—Fe1 | 60.1 (3) | Fe2—C19—C21—C20 | 60.6 (4) |
| C2—C1—C5—C4 | −0.3 (4) | C18—C19—C21—Fe2 | −60.4 (4) |
| Fe1—C1—C5—C4 | 59.9 (3) | C18—Fe2—C21—C20 | −80.6 (5) |
| C2—C1—C5—C11 | −175.2 (4) | C17—Fe2—C21—C20 | −38.5 (4) |
| Fe1—C1—C5—C11 | −115.0 (4) | C19—Fe2—C21—C20 | −117.6 (6) |
| C2—C1—C5—Fe1 | −60.3 (3) | C24—Fe2—C21—C20 | 112.6 (5) |
| C9—Fe1—C5—C4 | −172.0 (5) | C23—Fe2—C21—C20 | 71.8 (5) |
| C7—Fe1—C5—C4 | 79.6 (3) | C26—Fe2—C21—C20 | 156.2 (4) |
| C6—Fe1—C5—C4 | 120.1 (3) | C22—Fe2—C21—C20 | 40.5 (12) |
| C1—Fe1—C5—C4 | −118.3 (3) | C25—Fe2—C21—C20 | −169.2 (5) |
| C10—Fe1—C5—C4 | 159.8 (3) | C20—Fe2—C21—C19 | 117.6 (6) |
| C8—Fe1—C5—C4 | 50.0 (6) | C18—Fe2—C21—C19 | 37.1 (4) |
| C3—Fe1—C5—C4 | −38.1 (3) | C17—Fe2—C21—C19 | 79.1 (5) |
| C2—Fe1—C5—C4 | −81.0 (3) | C24—Fe2—C21—C19 | −129.8 (5) |
| C9—Fe1—C5—C1 | −53.7 (6) | C23—Fe2—C21—C19 | −170.5 (4) |
| C7—Fe1—C5—C1 | −162.0 (3) | C26—Fe2—C21—C19 | −86.1 (5) |
| C6—Fe1—C5—C1 | −121.6 (3) | C22—Fe2—C21—C19 | 158.2 (10) |
| C10—Fe1—C5—C1 | −81.9 (3) | C25—Fe2—C21—C19 | −51.5 (7) |
| C4—Fe1—C5—C1 | 118.3 (3) | C21—Fe2—C22—C25 | 158.6 (10) |
| C8—Fe1—C5—C1 | 168.3 (5) | C20—Fe2—C22—C25 | −168.5 (4) |
| C3—Fe1—C5—C1 | 80.3 (3) | C18—Fe2—C22—C25 | −86.1 (5) |
| C2—Fe1—C5—C1 | 37.3 (3) | C17—Fe2—C22—C25 | −127.3 (5) |
| C9—Fe1—C5—C11 | 68.1 (6) | C19—Fe2—C22—C25 | −51.6 (7) |
| C7—Fe1—C5—C11 | −40.2 (5) | C24—Fe2—C22—C25 | 82.1 (4) |
| C6—Fe1—C5—C11 | 0.2 (4) | C23—Fe2—C22—C25 | 119.9 (5) |
| C1—Fe1—C5—C11 | 121.8 (5) | C26—Fe2—C22—C25 | 37.7 (3) |
| C10—Fe1—C5—C11 | 40.0 (5) | C21—Fe2—C22—C23 | 38.6 (13) |
| C4—Fe1—C5—C11 | −119.8 (5) | C20—Fe2—C22—C23 | 71.5 (5) |
| C8—Fe1—C5—C11 | −69.9 (7) | C18—Fe2—C22—C23 | 154.0 (4) |
| C3—Fe1—C5—C11 | −157.9 (4) | C17—Fe2—C22—C23 | 112.8 (5) |
| C2—Fe1—C5—C11 | 159.1 (4) | C19—Fe2—C22—C23 | −171.5 (5) |
| C5—Fe1—C6—C10 | 120.1 (4) | C24—Fe2—C22—C23 | −37.9 (3) |
| C9—Fe1—C6—C10 | −37.6 (4) | C26—Fe2—C22—C23 | −82.3 (4) |
| C7—Fe1—C6—C10 | −119.7 (5) | C25—Fe2—C22—C23 | −119.9 (5) |
| C1—Fe1—C6—C10 | 78.0 (4) | C25—C22—C23—C24 | −0.6 (6) |
| C4—Fe1—C6—C10 | 162.4 (4) | Fe2—C22—C23—C24 | 58.9 (3) |
| C8—Fe1—C6—C10 | −81.5 (4) | C25—C22—C23—Fe2 | −59.4 (4) |
| C3—Fe1—C6—C10 | −166.7 (5) | C21—Fe2—C23—C22 | −169.6 (5) |
| C2—Fe1—C6—C10 | 47.5 (8) | C20—Fe2—C23—C22 | −129.2 (5) |
| C5—Fe1—C6—C7 | −120.1 (4) | C18—Fe2—C23—C22 | −53.8 (7) |
| C9—Fe1—C6—C7 | 82.1 (4) | C17—Fe2—C23—C22 | −85.9 (5) |
| C1—Fe1—C6—C7 | −162.3 (3) | C19—Fe2—C23—C22 | 160.8 (11) |
| C10—Fe1—C6—C7 | 119.7 (5) | C24—Fe2—C23—C22 | 119.9 (5) |
| C4—Fe1—C6—C7 | −77.8 (4) | C26—Fe2—C23—C22 | 81.3 (4) |
| C8—Fe1—C6—C7 | 38.2 (3) | C25—Fe2—C23—C22 | 36.9 (4) |
| C3—Fe1—C6—C7 | −47.0 (7) | C21—Fe2—C23—C24 | 70.5 (5) |
| C2—Fe1—C6—C7 | 167.2 (5) | C20—Fe2—C23—C24 | 110.9 (4) |
| C10—C6—C7—C8 | −0.2 (6) | C18—Fe2—C23—C24 | −173.6 (5) |
| Fe1—C6—C7—C8 | −60.4 (4) | C17—Fe2—C23—C24 | 154.3 (4) |
| C10—C6—C7—Fe1 | 60.2 (4) | C19—Fe2—C23—C24 | 41.0 (13) |
| C5—Fe1—C7—C6 | 77.3 (4) | C26—Fe2—C23—C24 | −38.6 (3) |
| C9—Fe1—C7—C6 | −80.0 (4) | C22—Fe2—C23—C24 | −119.9 (5) |
| C1—Fe1—C7—C6 | 43.8 (7) | C25—Fe2—C23—C24 | −82.9 (3) |
| C10—Fe1—C7—C6 | −36.6 (4) | C22—C23—C24—C26 | 0.4 (5) |
| C4—Fe1—C7—C6 | 120.0 (4) | Fe2—C23—C24—C26 | 59.9 (3) |
| C8—Fe1—C7—C6 | −118.7 (5) | C22—C23—C24—C27 | −174.2 (4) |
| C3—Fe1—C7—C6 | 161.4 (4) | Fe2—C23—C24—C27 | −114.8 (4) |
| C2—Fe1—C7—C6 | −166.9 (5) | C22—C23—C24—Fe2 | −59.5 (4) |
| C5—Fe1—C7—C8 | −164.0 (3) | C21—Fe2—C24—C23 | −130.1 (5) |
| C9—Fe1—C7—C8 | 38.7 (4) | C20—Fe2—C24—C23 | −87.7 (4) |
| C6—Fe1—C7—C8 | 118.7 (5) | C18—Fe2—C24—C23 | 167.1 (9) |
| C1—Fe1—C7—C8 | 162.5 (5) | C17—Fe2—C24—C23 | −54.9 (6) |
| C10—Fe1—C7—C8 | 82.1 (4) | C19—Fe2—C24—C23 | −169.6 (4) |
| C4—Fe1—C7—C8 | −121.3 (4) | C26—Fe2—C24—C23 | 118.1 (4) |
| C3—Fe1—C7—C8 | −79.9 (4) | C22—Fe2—C24—C23 | 36.8 (3) |
| C2—Fe1—C7—C8 | −48.2 (7) | C25—Fe2—C24—C23 | 79.7 (4) |
| C6—C7—C8—C9 | 0.4 (6) | C21—Fe2—C24—C26 | 111.9 (5) |
| Fe1—C7—C8—C9 | −60.0 (3) | C20—Fe2—C24—C26 | 154.2 (4) |
| C6—C7—C8—Fe1 | 60.4 (4) | C18—Fe2—C24—C26 | 49.1 (10) |
| C5—Fe1—C8—C9 | 157.2 (5) | C17—Fe2—C24—C26 | −173.0 (5) |
| C7—Fe1—C8—C9 | 116.9 (5) | C19—Fe2—C24—C26 | 72.4 (5) |
| C6—Fe1—C8—C9 | 79.6 (4) | C23—Fe2—C24—C26 | −118.1 (4) |
| C1—Fe1—C8—C9 | −44.9 (7) | C22—Fe2—C24—C26 | −81.3 (3) |
| C10—Fe1—C8—C9 | 37.3 (3) | C25—Fe2—C24—C26 | −38.4 (3) |
| C4—Fe1—C8—C9 | −165.8 (4) | C21—Fe2—C24—C27 | −8.7 (5) |
| C3—Fe1—C8—C9 | −122.8 (4) | C20—Fe2—C24—C27 | 33.7 (5) |
| C2—Fe1—C8—C9 | −81.1 (4) | C18—Fe2—C24—C27 | −71.5 (10) |
| C5—Fe1—C8—C7 | 40.2 (7) | C17—Fe2—C24—C27 | 66.4 (6) |
| C9—Fe1—C8—C7 | −116.9 (5) | C19—Fe2—C24—C27 | −48.2 (5) |
| C6—Fe1—C8—C7 | −37.3 (3) | C23—Fe2—C24—C27 | 121.4 (5) |
| C1—Fe1—C8—C7 | −161.8 (5) | C26—Fe2—C24—C27 | −120.6 (5) |
| C10—Fe1—C8—C7 | −79.6 (4) | C22—Fe2—C24—C27 | 158.1 (5) |
| C4—Fe1—C8—C7 | 77.3 (4) | C25—Fe2—C24—C27 | −159.0 (5) |
| C3—Fe1—C8—C7 | 120.3 (4) | C23—C22—C25—C26 | 0.5 (6) |
| C2—Fe1—C8—C7 | 162.0 (4) | Fe2—C22—C25—C26 | −58.7 (3) |
| C7—C8—C9—C10 | −0.4 (6) | C23—C22—C25—Fe2 | 59.2 (4) |
| Fe1—C8—C9—C10 | −60.4 (4) | C21—Fe2—C25—C22 | −170.1 (5) |
| C7—C8—C9—Fe1 | 59.9 (3) | C20—Fe2—C25—C22 | 41.6 (12) |
| C5—Fe1—C9—C10 | −38.8 (7) | C18—Fe2—C25—C22 | 112.8 (5) |
| C7—Fe1—C9—C10 | 80.1 (4) | C17—Fe2—C25—C22 | 73.5 (5) |
| C6—Fe1—C9—C10 | 36.9 (3) | C19—Fe2—C25—C22 | 154.7 (5) |
| C1—Fe1—C9—C10 | −78.4 (4) | C24—Fe2—C25—C22 | −81.6 (4) |
| C4—Fe1—C9—C10 | 156.9 (6) | C23—Fe2—C25—C22 | −37.1 (3) |
| C8—Fe1—C9—C10 | 119.1 (5) | C26—Fe2—C25—C22 | −120.1 (5) |
| C3—Fe1—C9—C10 | −163.4 (4) | C21—Fe2—C25—C26 | −50.0 (7) |
| C2—Fe1—C9—C10 | −121.3 (4) | C20—Fe2—C25—C26 | 161.7 (10) |
| C5—Fe1—C9—C8 | −158.0 (5) | C18—Fe2—C25—C26 | −127.1 (5) |
| C7—Fe1—C9—C8 | −39.0 (4) | C17—Fe2—C25—C26 | −166.4 (4) |
| C6—Fe1—C9—C8 | −82.3 (4) | C19—Fe2—C25—C26 | −85.2 (5) |
| C1—Fe1—C9—C8 | 162.5 (3) | C24—Fe2—C25—C26 | 38.5 (3) |
| C10—Fe1—C9—C8 | −119.1 (5) | C23—Fe2—C25—C26 | 83.0 (3) |
| C4—Fe1—C9—C8 | 37.8 (8) | C22—Fe2—C25—C26 | 120.1 (5) |
| C3—Fe1—C9—C8 | 77.5 (4) | C22—C25—C26—C24 | −0.2 (6) |
| C2—Fe1—C9—C8 | 119.6 (4) | Fe2—C25—C26—C24 | −59.4 (3) |
| C7—C6—C10—C9 | −0.1 (6) | C22—C25—C26—Fe2 | 59.1 (4) |
| Fe1—C6—C10—C9 | 59.7 (4) | C23—C24—C26—C25 | −0.1 (5) |
| C7—C6—C10—Fe1 | −59.8 (4) | C27—C24—C26—C25 | 174.6 (4) |
| C8—C9—C10—C6 | 0.4 (6) | Fe2—C24—C26—C25 | 59.7 (3) |
| Fe1—C9—C10—C6 | −60.1 (4) | C23—C24—C26—Fe2 | −59.8 (3) |
| C8—C9—C10—Fe1 | 60.4 (4) | C27—C24—C26—Fe2 | 114.9 (4) |
| C5—Fe1—C10—C6 | −76.9 (4) | C21—Fe2—C26—C25 | 155.9 (5) |
| C9—Fe1—C10—C6 | 119.1 (5) | C20—Fe2—C26—C25 | −171.3 (6) |
| C7—Fe1—C10—C6 | 37.1 (4) | C18—Fe2—C26—C25 | 74.9 (5) |
| C1—Fe1—C10—C6 | −120.4 (4) | C17—Fe2—C26—C25 | 48.5 (11) |
| C4—Fe1—C10—C6 | −41.1 (7) | C19—Fe2—C26—C25 | 113.2 (5) |
| C8—Fe1—C10—C6 | 81.4 (4) | C24—Fe2—C26—C25 | −118.3 (5) |
| C3—Fe1—C10—C6 | 165.1 (6) | C23—Fe2—C26—C25 | −79.7 (4) |
| C2—Fe1—C10—C6 | −161.5 (4) | C22—Fe2—C26—C25 | −36.6 (3) |
| C5—Fe1—C10—C9 | 164.0 (3) | C21—Fe2—C26—C24 | −85.9 (4) |
| C7—Fe1—C10—C9 | −82.0 (4) | C20—Fe2—C26—C24 | −53.1 (6) |
| C6—Fe1—C10—C9 | −119.1 (5) | C18—Fe2—C26—C24 | −166.8 (4) |
| C1—Fe1—C10—C9 | 120.5 (4) | C17—Fe2—C26—C24 | 166.7 (9) |
| C4—Fe1—C10—C9 | −160.2 (5) | C19—Fe2—C26—C24 | −128.5 (4) |
| C8—Fe1—C10—C9 | −37.7 (3) | C23—Fe2—C26—C24 | 38.6 (3) |
| C3—Fe1—C10—C9 | 45.9 (8) | C22—Fe2—C26—C24 | 81.7 (3) |
| C2—Fe1—C10—C9 | 79.3 (4) | C25—Fe2—C26—C24 | 118.3 (5) |
| C4—C5—C11—N1 | 91.1 (5) | C23—C24—C27—N2 | −87.9 (5) |
| C1—C5—C11—N1 | −94.8 (5) | C26—C24—C27—N2 | 98.4 (5) |
| Fe1—C5—C11—N1 | 177.8 (3) | Fe2—C24—C27—N2 | −174.8 (3) |
| C12—N1—C11—C5 | −177.8 (4) | C29—N2—C27—C24 | 62.5 (5) |
| C13—N1—C11—C5 | −60.0 (5) | C28—N2—C27—C24 | −177.7 (4) |
| C14—N1—C11—C5 | 59.9 (5) | C30—N2—C27—C24 | −57.0 (5) |
| C12—N1—C14—C15 | −54.8 (6) | C29—N2—C30—C31 | 173.5 (4) |
| C13—N1—C14—C15 | −173.7 (4) | C28—N2—C30—C31 | 54.0 (5) |
| C11—N1—C14—C15 | 65.2 (5) | C27—N2—C30—C31 | −65.5 (5) |
| N1—C14—C15—C16 | 115.3 (7) | N2—C30—C31—C32 | −118.9 (6) |