| Literature DB >> 21587735 |
Youzhu Yu, Chengchen Zhu, Jianping Huang, Qingchao Jia, Nan Zhang.
Abstract
In the title compound, [FeSn(C(5)H(5))(C(6)H(5))(3)(C(6)H(4)O(2))], the Sn(IV) atom displays a distorted tetra-hedral coordination geometry, provided by one O atom of the monodentate ferrocene-carboxyl-ate ligand [Sn-O = 2.079 (2) Å] and by three C atoms of the three phenyl groups [average Sn-C = 2.130 (4) Å]. No classic hydrogen bonds or inter-molecular inter-actions are observed in the crystal.Entities:
Year: 2010 PMID: 21587735 PMCID: PMC3006984 DOI: 10.1107/S1600536810022488
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [FeSn(C5H5)(C6H5)3(C6H4O2)] | |
| Triclinic, | |
| Mo | |
| Cell parameters from 3523 reflections | |
| θ = 2.4–26.9° | |
| α = 98.034 (1)° | µ = 1.66 mm−1 |
| β = 106.107 (2)° | |
| γ = 106.082 (2)° | Block, red |
| 0.50 × 0.40 × 0.38 mm |
| Bruker SMART-1000 CCD diffractometer | 4182 independent reflections |
| Radiation source: fine-focus sealed tube | 3539 reflections with |
| graphite | |
| phi and ω scans | θmax = 25.0°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 6299 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 | |
| 4182 reflections | (Δ/σ)max < 0.001 |
| 298 parameters | Δρmax = 0.46 e Å−3 |
| 0 restraints | Δρmin = −0.70 e Å−3 |
| Sn | 0.15862 (3) | 0.36001 (2) | 0.13590 (2) | 0.03576 (11) | |
| Fe | −0.30164 (6) | 0.22737 (5) | 0.30190 (5) | 0.04190 (15) | |
| O1 | −0.0847 (3) | 0.1793 (3) | 0.0970 (3) | 0.0491 (7) | |
| O2 | −0.0337 (3) | 0.3838 (2) | 0.1496 (3) | 0.0443 (6) | |
| C19 | −0.1220 (4) | 0.2694 (4) | 0.1280 (3) | 0.0375 (8) | |
| C1 | 0.1397 (4) | 0.2675 (3) | −0.0417 (3) | 0.0356 (8) | |
| C7 | 0.2778 (4) | 0.5534 (3) | 0.1604 (3) | 0.0380 (8) | |
| C20 | −0.2642 (4) | 0.2547 (4) | 0.1441 (3) | 0.0413 (9) | |
| C13 | 0.2359 (4) | 0.2953 (4) | 0.2959 (3) | 0.0396 (8) | |
| C2 | 0.1279 (4) | 0.1420 (4) | −0.0740 (4) | 0.0453 (9) | |
| H8 | 0.1325 | 0.0950 | −0.0149 | 0.054* | |
| C6 | 0.1335 (5) | 0.3349 (4) | −0.1312 (4) | 0.0474 (10) | |
| H9 | 0.1440 | 0.4195 | −0.1109 | 0.057* | |
| C21 | −0.3748 (4) | 0.1358 (4) | 0.1220 (4) | 0.0514 (10) | |
| H10 | −0.3720 | 0.0531 | 0.0889 | 0.062* | |
| C27 | −0.3368 (6) | 0.1369 (5) | 0.4353 (4) | 0.0729 (15) | |
| H11 | −0.4274 | 0.0715 | 0.4278 | 0.087* | |
| C4 | 0.0994 (5) | 0.1542 (4) | −0.2809 (4) | 0.0559 (11) | |
| H12 | 0.0840 | 0.1157 | −0.3613 | 0.067* | |
| C17 | 0.2592 (5) | 0.1324 (5) | 0.4016 (5) | 0.0677 (13) | |
| H13 | 0.2453 | 0.0479 | 0.3993 | 0.081* | |
| C23 | −0.4528 (5) | 0.2901 (5) | 0.1981 (5) | 0.0666 (14) | |
| H14 | −0.5132 | 0.3318 | 0.2287 | 0.080* | |
| C3 | 0.1096 (5) | 0.0867 (4) | −0.1922 (4) | 0.0528 (11) | |
| H15 | 0.1041 | 0.0033 | −0.2122 | 0.063* | |
| C22 | −0.4898 (5) | 0.1617 (5) | 0.1555 (4) | 0.0655 (13) | |
| H16 | −0.5803 | 0.0985 | 0.1515 | 0.079* | |
| C8 | 0.4041 (4) | 0.5854 (4) | 0.1286 (4) | 0.0533 (11) | |
| H17 | 0.4362 | 0.5219 | 0.0999 | 0.064* | |
| C5 | 0.1118 (5) | 0.2781 (4) | −0.2511 (4) | 0.0589 (11) | |
| H18 | 0.1057 | 0.3241 | −0.3110 | 0.071* | |
| C18 | 0.2145 (4) | 0.1700 (4) | 0.2944 (4) | 0.0497 (10) | |
| H19 | 0.1694 | 0.1104 | 0.2201 | 0.060* | |
| C24 | −0.3112 (5) | 0.3517 (4) | 0.1938 (5) | 0.0584 (12) | |
| H20 | −0.2580 | 0.4421 | 0.2178 | 0.070* | |
| C12 | 0.2319 (5) | 0.6496 (4) | 0.2018 (4) | 0.0571 (11) | |
| H21 | 0.1477 | 0.6314 | 0.2234 | 0.069* | |
| C10 | 0.4356 (6) | 0.8009 (5) | 0.1798 (4) | 0.0708 (15) | |
| H22 | 0.4883 | 0.8841 | 0.1869 | 0.085* | |
| C14 | 0.3036 (5) | 0.3814 (4) | 0.4074 (4) | 0.0586 (11) | |
| H23 | 0.3204 | 0.4664 | 0.4106 | 0.070* | |
| C16 | 0.3243 (6) | 0.2196 (6) | 0.5123 (5) | 0.0786 (16) | |
| H24 | 0.3525 | 0.1939 | 0.5848 | 0.094* | |
| C28 | −0.3050 (7) | 0.2640 (5) | 0.4773 (5) | 0.0752 (15) | |
| H25 | −0.3685 | 0.3039 | 0.5051 | 0.090* | |
| C25 | −0.1146 (6) | 0.2310 (8) | 0.4244 (5) | 0.093 (2) | |
| H26 | −0.0200 | 0.2445 | 0.4119 | 0.111* | |
| C26 | −0.2222 (8) | 0.1166 (7) | 0.4036 (5) | 0.0824 (17) | |
| H27 | −0.2176 | 0.0344 | 0.3709 | 0.099* | |
| C29 | −0.1673 (7) | 0.3262 (6) | 0.4719 (5) | 0.0877 (18) | |
| H28 | −0.1155 | 0.4169 | 0.4972 | 0.105* | |
| C9 | 0.4823 (5) | 0.7075 (5) | 0.1385 (4) | 0.0656 (13) | |
| H29 | 0.5666 | 0.7265 | 0.1171 | 0.079* | |
| C15 | 0.3470 (6) | 0.3421 (6) | 0.5152 (4) | 0.0793 (16) | |
| H30 | 0.3921 | 0.4010 | 0.5899 | 0.095* | |
| C11 | 0.3109 (7) | 0.7730 (4) | 0.2113 (5) | 0.0798 (16) | |
| H32 | 0.2795 | 0.8374 | 0.2391 | 0.096* |
| Sn | 0.03738 (16) | 0.03568 (16) | 0.03835 (16) | 0.01117 (11) | 0.01736 (11) | 0.01373 (11) |
| Fe | 0.0444 (3) | 0.0463 (3) | 0.0446 (3) | 0.0188 (3) | 0.0219 (3) | 0.0183 (3) |
| O1 | 0.0521 (16) | 0.0472 (16) | 0.0579 (18) | 0.0190 (13) | 0.0270 (14) | 0.0197 (13) |
| O2 | 0.0395 (14) | 0.0443 (16) | 0.0595 (17) | 0.0157 (12) | 0.0253 (13) | 0.0227 (13) |
| C19 | 0.0342 (19) | 0.048 (2) | 0.035 (2) | 0.0132 (17) | 0.0141 (16) | 0.0203 (17) |
| C1 | 0.0385 (19) | 0.039 (2) | 0.0353 (19) | 0.0154 (16) | 0.0166 (16) | 0.0121 (16) |
| C7 | 0.0384 (19) | 0.036 (2) | 0.036 (2) | 0.0071 (16) | 0.0099 (16) | 0.0124 (16) |
| C20 | 0.0360 (19) | 0.050 (2) | 0.040 (2) | 0.0125 (17) | 0.0123 (16) | 0.0239 (18) |
| C13 | 0.0349 (19) | 0.051 (2) | 0.039 (2) | 0.0159 (17) | 0.0163 (16) | 0.0152 (17) |
| C2 | 0.053 (2) | 0.040 (2) | 0.051 (2) | 0.0182 (18) | 0.0224 (19) | 0.0200 (18) |
| C6 | 0.064 (3) | 0.038 (2) | 0.044 (2) | 0.0186 (19) | 0.021 (2) | 0.0153 (18) |
| C21 | 0.044 (2) | 0.059 (3) | 0.043 (2) | 0.003 (2) | 0.0133 (19) | 0.017 (2) |
| C27 | 0.107 (4) | 0.079 (4) | 0.056 (3) | 0.037 (3) | 0.047 (3) | 0.034 (3) |
| C4 | 0.066 (3) | 0.054 (3) | 0.044 (2) | 0.018 (2) | 0.020 (2) | 0.003 (2) |
| C17 | 0.068 (3) | 0.073 (3) | 0.069 (3) | 0.024 (3) | 0.022 (3) | 0.041 (3) |
| C23 | 0.047 (2) | 0.092 (4) | 0.093 (4) | 0.040 (3) | 0.040 (3) | 0.055 (3) |
| C3 | 0.064 (3) | 0.038 (2) | 0.056 (3) | 0.013 (2) | 0.026 (2) | 0.0052 (19) |
| C22 | 0.038 (2) | 0.090 (4) | 0.065 (3) | 0.012 (2) | 0.017 (2) | 0.029 (3) |
| C8 | 0.046 (2) | 0.053 (3) | 0.057 (3) | 0.008 (2) | 0.018 (2) | 0.017 (2) |
| C5 | 0.081 (3) | 0.061 (3) | 0.043 (2) | 0.029 (2) | 0.021 (2) | 0.023 (2) |
| C18 | 0.052 (2) | 0.054 (3) | 0.047 (2) | 0.018 (2) | 0.018 (2) | 0.022 (2) |
| C24 | 0.058 (3) | 0.062 (3) | 0.078 (3) | 0.030 (2) | 0.034 (2) | 0.045 (2) |
| C12 | 0.064 (3) | 0.046 (3) | 0.061 (3) | 0.016 (2) | 0.024 (2) | 0.009 (2) |
| C10 | 0.076 (3) | 0.048 (3) | 0.055 (3) | −0.013 (3) | 0.002 (3) | 0.018 (2) |
| C14 | 0.061 (3) | 0.061 (3) | 0.048 (3) | 0.015 (2) | 0.016 (2) | 0.008 (2) |
| C16 | 0.064 (3) | 0.112 (5) | 0.059 (3) | 0.022 (3) | 0.013 (3) | 0.051 (3) |
| C28 | 0.095 (4) | 0.086 (4) | 0.056 (3) | 0.036 (3) | 0.040 (3) | 0.010 (3) |
| C25 | 0.063 (3) | 0.189 (7) | 0.043 (3) | 0.057 (4) | 0.018 (3) | 0.046 (4) |
| C26 | 0.120 (5) | 0.117 (5) | 0.058 (3) | 0.081 (4) | 0.046 (3) | 0.049 (3) |
| C29 | 0.083 (4) | 0.093 (4) | 0.055 (3) | 0.005 (3) | 0.009 (3) | −0.001 (3) |
| C9 | 0.054 (3) | 0.068 (3) | 0.062 (3) | −0.004 (2) | 0.017 (2) | 0.027 (3) |
| C15 | 0.074 (3) | 0.105 (5) | 0.037 (3) | 0.013 (3) | 0.006 (2) | 0.010 (3) |
| C11 | 0.110 (4) | 0.041 (3) | 0.079 (4) | 0.022 (3) | 0.024 (3) | 0.007 (2) |
| Sn—O2 | 2.079 (2) | C4—C3 | 1.372 (6) |
| Sn—C1 | 2.123 (3) | C4—H12 | 0.9300 |
| Sn—C13 | 2.131 (4) | C17—C16 | 1.378 (7) |
| Sn—C7 | 2.136 (4) | C17—C18 | 1.378 (6) |
| Fe—C25 | 2.014 (5) | C17—H13 | 0.9300 |
| Fe—C29 | 2.021 (5) | C23—C22 | 1.386 (7) |
| Fe—C26 | 2.026 (5) | C23—C24 | 1.427 (6) |
| Fe—C20 | 2.029 (4) | C23—H14 | 0.9800 |
| Fe—C24 | 2.030 (4) | C3—H15 | 0.9300 |
| Fe—C23 | 2.033 (4) | C22—H16 | 0.9800 |
| Fe—C21 | 2.036 (4) | C8—C9 | 1.368 (6) |
| Fe—C22 | 2.036 (5) | C8—H17 | 0.9300 |
| Fe—C27 | 2.042 (5) | C5—H18 | 0.9300 |
| Fe—C28 | 2.043 (5) | C18—H19 | 0.9300 |
| O1—C19 | 1.231 (4) | C24—H20 | 0.9800 |
| O2—C19 | 1.304 (4) | C12—C11 | 1.384 (7) |
| C19—C20 | 1.467 (5) | C12—H21 | 0.9300 |
| C1—C6 | 1.378 (5) | C10—C9 | 1.362 (7) |
| C1—C2 | 1.392 (5) | C10—C11 | 1.374 (7) |
| C7—C12 | 1.382 (6) | C10—H22 | 0.9300 |
| C7—C8 | 1.393 (5) | C14—C15 | 1.392 (7) |
| C20—C24 | 1.431 (6) | C14—H23 | 0.9300 |
| C20—C21 | 1.435 (5) | C16—C15 | 1.345 (8) |
| C13—C14 | 1.380 (5) | C16—H24 | 0.9300 |
| C13—C18 | 1.382 (6) | C28—C29 | 1.399 (8) |
| C2—C3 | 1.373 (6) | C28—H25 | 0.9800 |
| C2—H8 | 0.9300 | C25—C26 | 1.387 (9) |
| C6—C5 | 1.386 (6) | C25—C29 | 1.444 (9) |
| C6—H9 | 0.9300 | C25—H26 | 0.9800 |
| C21—C22 | 1.414 (6) | C26—H27 | 0.9800 |
| C21—H10 | 0.9800 | C29—H28 | 0.9800 |
| C27—C26 | 1.376 (7) | C9—H29 | 0.9300 |
| C27—C28 | 1.379 (7) | C15—H30 | 0.9300 |
| C27—H11 | 0.9800 | C11—H32 | 0.9300 |
| C4—C5 | 1.370 (6) | ||
| O2—Sn—C1 | 114.16 (12) | C26—C27—H11 | 125.4 |
| O2—Sn—C13 | 102.45 (12) | C28—C27—H11 | 125.4 |
| C1—Sn—C13 | 122.73 (14) | Fe—C27—H11 | 125.4 |
| O2—Sn—C7 | 97.22 (12) | C5—C4—C3 | 120.0 (4) |
| C1—Sn—C7 | 106.57 (14) | C5—C4—H12 | 120.0 |
| C13—Sn—C7 | 110.83 (14) | C3—C4—H12 | 120.0 |
| C25—Fe—C29 | 41.9 (3) | C16—C17—C18 | 120.2 (5) |
| C25—Fe—C26 | 40.2 (3) | C16—C17—H13 | 119.9 |
| C29—Fe—C26 | 68.2 (3) | C18—C17—H13 | 119.9 |
| C25—Fe—C20 | 108.67 (19) | C22—C23—C24 | 109.4 (4) |
| C29—Fe—C20 | 124.7 (2) | C22—C23—Fe | 70.2 (3) |
| C26—Fe—C20 | 124.14 (19) | C24—C23—Fe | 69.3 (2) |
| C25—Fe—C24 | 123.3 (3) | C22—C23—H14 | 125.3 |
| C29—Fe—C24 | 107.1 (2) | C24—C23—H14 | 125.3 |
| C26—Fe—C24 | 159.9 (2) | Fe—C23—H14 | 125.3 |
| C20—Fe—C24 | 41.31 (17) | C4—C3—C2 | 120.3 (4) |
| C25—Fe—C23 | 159.7 (3) | C4—C3—H15 | 119.9 |
| C29—Fe—C23 | 122.0 (3) | C2—C3—H15 | 119.9 |
| C26—Fe—C23 | 158.1 (3) | C23—C22—C21 | 109.4 (4) |
| C20—Fe—C23 | 68.39 (17) | C23—C22—Fe | 70.0 (3) |
| C24—Fe—C23 | 41.12 (17) | C21—C22—Fe | 69.7 (2) |
| C25—Fe—C21 | 123.7 (2) | C23—C22—H16 | 125.3 |
| C29—Fe—C21 | 161.7 (2) | C21—C22—H16 | 125.3 |
| C26—Fe—C21 | 108.1 (2) | Fe—C22—H16 | 125.3 |
| C20—Fe—C21 | 41.33 (15) | C9—C8—C7 | 121.9 (4) |
| C24—Fe—C21 | 69.90 (19) | C9—C8—H17 | 119.0 |
| C23—Fe—C21 | 68.3 (2) | C7—C8—H17 | 119.0 |
| C25—Fe—C22 | 159.5 (3) | C4—C5—C6 | 119.8 (4) |
| C29—Fe—C22 | 156.5 (3) | C4—C5—H18 | 120.1 |
| C26—Fe—C22 | 123.5 (3) | C6—C5—H18 | 120.1 |
| C20—Fe—C22 | 68.30 (16) | C17—C18—C13 | 120.7 (4) |
| C24—Fe—C22 | 68.7 (2) | C17—C18—H19 | 119.7 |
| C23—Fe—C22 | 39.8 (2) | C13—C18—H19 | 119.7 |
| C21—Fe—C22 | 40.62 (18) | C23—C24—C20 | 106.0 (4) |
| C25—Fe—C27 | 67.4 (2) | C23—C24—Fe | 69.6 (2) |
| C29—Fe—C27 | 67.3 (2) | C20—C24—Fe | 69.3 (2) |
| C26—Fe—C27 | 39.5 (2) | C23—C24—H20 | 127.0 |
| C20—Fe—C27 | 158.90 (19) | C20—C24—H20 | 127.0 |
| C24—Fe—C27 | 158.5 (2) | Fe—C24—H20 | 127.0 |
| C23—Fe—C27 | 122.7 (2) | C7—C12—C11 | 120.1 (5) |
| C21—Fe—C27 | 122.1 (2) | C7—C12—H21 | 119.9 |
| C22—Fe—C27 | 107.7 (2) | C11—C12—H21 | 119.9 |
| C25—Fe—C28 | 68.5 (2) | C9—C10—C11 | 120.4 (4) |
| C29—Fe—C28 | 40.3 (2) | C9—C10—H22 | 119.8 |
| C26—Fe—C28 | 67.0 (2) | C11—C10—H22 | 119.8 |
| C20—Fe—C28 | 160.6 (2) | C13—C14—C15 | 120.5 (5) |
| C24—Fe—C28 | 122.9 (2) | C13—C14—H23 | 119.8 |
| C23—Fe—C28 | 107.2 (2) | C15—C14—H23 | 119.8 |
| C21—Fe—C28 | 156.5 (2) | C15—C16—C17 | 119.8 (5) |
| C22—Fe—C28 | 121.2 (2) | C15—C16—H24 | 120.1 |
| C27—Fe—C28 | 39.5 (2) | C17—C16—H24 | 120.1 |
| C19—O2—Sn | 103.8 (2) | C27—C28—C29 | 108.2 (5) |
| O1—C19—O2 | 120.4 (3) | C27—C28—Fe | 70.2 (3) |
| O1—C19—C20 | 122.7 (3) | C29—C28—Fe | 69.0 (3) |
| O2—C19—C20 | 116.9 (3) | C27—C28—H25 | 125.9 |
| C6—C1—C2 | 118.2 (3) | C29—C28—H25 | 125.9 |
| C6—C1—Sn | 117.9 (3) | Fe—C28—H25 | 125.9 |
| C2—C1—Sn | 123.8 (3) | C26—C25—C29 | 106.5 (5) |
| C12—C7—C8 | 117.8 (4) | C26—C25—Fe | 70.4 (3) |
| C12—C7—Sn | 122.8 (3) | C29—C25—Fe | 69.3 (3) |
| C8—C7—Sn | 119.3 (3) | C26—C25—H26 | 126.7 |
| C24—C20—C21 | 108.7 (3) | C29—C25—H26 | 126.7 |
| C24—C20—C19 | 127.0 (4) | Fe—C25—H26 | 126.7 |
| C21—C20—C19 | 124.0 (4) | C27—C26—C25 | 109.2 (5) |
| C24—C20—Fe | 69.4 (2) | C27—C26—Fe | 70.9 (3) |
| C21—C20—Fe | 69.6 (2) | C25—C26—Fe | 69.5 (3) |
| C19—C20—Fe | 122.6 (2) | C27—C26—H27 | 125.4 |
| C14—C13—C18 | 118.2 (4) | C25—C26—H27 | 125.4 |
| C14—C13—Sn | 118.6 (3) | Fe—C26—H27 | 125.4 |
| C18—C13—Sn | 123.0 (3) | C28—C29—C25 | 106.9 (6) |
| C3—C2—C1 | 120.7 (4) | C28—C29—Fe | 70.7 (3) |
| C3—C2—H8 | 119.6 | C25—C29—Fe | 68.8 (3) |
| C1—C2—H8 | 119.6 | C28—C29—H28 | 126.5 |
| C1—C6—C5 | 120.9 (4) | C25—C29—H28 | 126.5 |
| C1—C6—H9 | 119.5 | Fe—C29—H28 | 126.5 |
| C5—C6—H9 | 119.5 | C10—C9—C8 | 119.4 (5) |
| C22—C21—C20 | 106.5 (4) | C10—C9—H29 | 120.3 |
| C22—C21—Fe | 69.7 (3) | C8—C9—H29 | 120.3 |
| C20—C21—Fe | 69.0 (2) | C16—C15—C14 | 120.6 (5) |
| C22—C21—H10 | 126.8 | C16—C15—H30 | 119.7 |
| C20—C21—H10 | 126.8 | C14—C15—H30 | 119.7 |
| Fe—C21—H10 | 126.8 | C10—C11—C12 | 120.3 (5) |
| C26—C27—C28 | 109.2 (6) | C10—C11—H32 | 119.8 |
| C26—C27—Fe | 69.6 (3) | C12—C11—H32 | 119.8 |
| C28—C27—Fe | 70.3 (3) | ||
| C1—Sn—O2—C19 | 64.2 (2) | C29—Fe—C22—C21 | 167.5 (5) |
| C13—Sn—O2—C19 | −70.7 (2) | C26—Fe—C22—C21 | −78.5 (3) |
| C7—Sn—O2—C19 | 176.0 (2) | C20—Fe—C22—C21 | 39.0 (3) |
| Sn—O2—C19—O1 | −5.6 (4) | C24—Fe—C22—C21 | 83.5 (3) |
| Sn—O2—C19—C20 | 173.6 (3) | C23—Fe—C22—C21 | 120.8 (4) |
| O2—Sn—C1—C6 | 75.2 (3) | C27—Fe—C22—C21 | −119.0 (3) |
| C13—Sn—C1—C6 | −160.1 (3) | C28—Fe—C22—C21 | −160.0 (3) |
| C7—Sn—C1—C6 | −30.9 (3) | C12—C7—C8—C9 | 0.6 (6) |
| O2—Sn—C1—C2 | −102.4 (3) | Sn—C7—C8—C9 | 177.8 (3) |
| C13—Sn—C1—C2 | 22.3 (4) | C3—C4—C5—C6 | −0.5 (7) |
| C7—Sn—C1—C2 | 151.5 (3) | C1—C6—C5—C4 | −1.4 (7) |
| O2—Sn—C7—C12 | 13.0 (4) | C16—C17—C18—C13 | 0.9 (7) |
| C1—Sn—C7—C12 | 130.9 (3) | C14—C13—C18—C17 | 0.3 (6) |
| C13—Sn—C7—C12 | −93.3 (4) | Sn—C13—C18—C17 | −176.2 (3) |
| O2—Sn—C7—C8 | −164.1 (3) | C22—C23—C24—C20 | 1.1 (5) |
| C1—Sn—C7—C8 | −46.2 (3) | Fe—C23—C24—C20 | 60.1 (3) |
| C13—Sn—C7—C8 | 89.6 (3) | C22—C23—C24—Fe | −58.9 (3) |
| O1—C19—C20—C24 | 171.8 (4) | C21—C20—C24—C23 | −1.6 (5) |
| O2—C19—C20—C24 | −7.4 (6) | C19—C20—C24—C23 | −176.2 (4) |
| O1—C19—C20—C21 | −2.1 (6) | Fe—C20—C24—C23 | −60.2 (3) |
| O2—C19—C20—C21 | 178.7 (3) | C21—C20—C24—Fe | 58.7 (3) |
| O1—C19—C20—Fe | 84.1 (4) | C19—C20—C24—Fe | −116.0 (4) |
| O2—C19—C20—Fe | −95.1 (4) | C25—Fe—C24—C23 | −162.5 (4) |
| C25—Fe—C20—C24 | −119.5 (3) | C29—Fe—C24—C23 | −119.3 (4) |
| C29—Fe—C20—C24 | −75.7 (4) | C26—Fe—C24—C23 | 167.6 (6) |
| C26—Fe—C20—C24 | −161.3 (3) | C20—Fe—C24—C23 | 117.1 (4) |
| C23—Fe—C20—C24 | 39.0 (3) | C21—Fe—C24—C23 | 79.7 (3) |
| C21—Fe—C20—C24 | 120.4 (3) | C22—Fe—C24—C23 | 36.2 (3) |
| C22—Fe—C20—C24 | 82.0 (3) | C27—Fe—C24—C23 | −48.1 (7) |
| C27—Fe—C20—C24 | 164.9 (5) | C28—Fe—C24—C23 | −78.1 (4) |
| C28—Fe—C20—C24 | −41.3 (7) | C25—Fe—C24—C20 | 80.4 (3) |
| C25—Fe—C20—C21 | 120.1 (3) | C29—Fe—C24—C20 | 123.6 (3) |
| C29—Fe—C20—C21 | 164.0 (3) | C26—Fe—C24—C20 | 50.5 (8) |
| C26—Fe—C20—C21 | 78.3 (4) | C23—Fe—C24—C20 | −117.1 (4) |
| C24—Fe—C20—C21 | −120.4 (3) | C21—Fe—C24—C20 | −37.4 (2) |
| C23—Fe—C20—C21 | −81.3 (3) | C22—Fe—C24—C20 | −80.9 (3) |
| C22—Fe—C20—C21 | −38.3 (3) | C27—Fe—C24—C20 | −165.2 (5) |
| C27—Fe—C20—C21 | 44.5 (6) | C28—Fe—C24—C20 | 164.8 (3) |
| C28—Fe—C20—C21 | −161.6 (6) | C8—C7—C12—C11 | −0.3 (6) |
| C25—Fe—C20—C19 | 2.0 (4) | Sn—C7—C12—C11 | −177.5 (4) |
| C29—Fe—C20—C19 | 45.9 (4) | C18—C13—C14—C15 | −0.9 (6) |
| C26—Fe—C20—C19 | −39.8 (4) | Sn—C13—C14—C15 | 175.7 (4) |
| C24—Fe—C20—C19 | 121.6 (4) | C18—C17—C16—C15 | −1.4 (8) |
| C23—Fe—C20—C19 | 160.6 (4) | C26—C27—C28—C29 | 0.2 (6) |
| C21—Fe—C20—C19 | −118.1 (4) | Fe—C27—C28—C29 | −58.7 (4) |
| C22—Fe—C20—C19 | −156.4 (4) | C26—C27—C28—Fe | 58.9 (4) |
| C27—Fe—C20—C19 | −73.5 (7) | C25—Fe—C28—C27 | −80.1 (4) |
| C28—Fe—C20—C19 | 80.3 (7) | C29—Fe—C28—C27 | −119.6 (5) |
| O2—Sn—C13—C14 | −77.8 (3) | C26—Fe—C28—C27 | −36.6 (4) |
| C1—Sn—C13—C14 | 152.4 (3) | C20—Fe—C28—C27 | −165.5 (5) |
| C7—Sn—C13—C14 | 25.0 (3) | C24—Fe—C28—C27 | 163.2 (3) |
| O2—Sn—C13—C18 | 98.6 (3) | C23—Fe—C28—C27 | 120.9 (4) |
| C1—Sn—C13—C18 | −31.2 (4) | C21—Fe—C28—C27 | 45.9 (7) |
| C7—Sn—C13—C18 | −158.6 (3) | C22—Fe—C28—C27 | 79.7 (4) |
| C6—C1—C2—C3 | −0.4 (6) | C25—Fe—C28—C29 | 39.4 (4) |
| Sn—C1—C2—C3 | 177.1 (3) | C26—Fe—C28—C29 | 82.9 (4) |
| C2—C1—C6—C5 | 1.9 (6) | C20—Fe—C28—C29 | −46.0 (8) |
| Sn—C1—C6—C5 | −175.9 (3) | C24—Fe—C28—C29 | −77.2 (4) |
| C24—C20—C21—C22 | 1.4 (5) | C23—Fe—C28—C29 | −119.5 (4) |
| C19—C20—C21—C22 | 176.3 (4) | C21—Fe—C28—C29 | 165.5 (5) |
| Fe—C20—C21—C22 | 59.9 (3) | C22—Fe—C28—C29 | −160.7 (4) |
| C24—C20—C21—Fe | −58.5 (3) | C27—Fe—C28—C29 | 119.6 (5) |
| C19—C20—C21—Fe | 116.3 (3) | C29—Fe—C25—C26 | 117.2 (5) |
| C25—Fe—C21—C22 | 162.3 (4) | C20—Fe—C25—C26 | −121.2 (3) |
| C29—Fe—C21—C22 | −164.1 (7) | C24—Fe—C25—C26 | −164.6 (3) |
| C26—Fe—C21—C22 | 120.8 (3) | C23—Fe—C25—C26 | 160.8 (5) |
| C20—Fe—C21—C22 | −117.7 (4) | C21—Fe—C25—C26 | −77.9 (3) |
| C24—Fe—C21—C22 | −80.4 (3) | C22—Fe—C25—C26 | −43.4 (7) |
| C23—Fe—C21—C22 | −36.3 (3) | C27—Fe—C25—C26 | 36.6 (3) |
| C27—Fe—C21—C22 | 79.6 (4) | C28—Fe—C25—C26 | 79.3 (3) |
| C28—Fe—C21—C22 | 47.0 (6) | C26—Fe—C25—C29 | −117.2 (5) |
| C25—Fe—C21—C20 | −79.9 (4) | C20—Fe—C25—C29 | 121.6 (3) |
| C29—Fe—C21—C20 | −46.3 (8) | C24—Fe—C25—C29 | 78.2 (4) |
| C26—Fe—C21—C20 | −121.5 (3) | C23—Fe—C25—C29 | 43.5 (7) |
| C24—Fe—C21—C20 | 37.3 (2) | C21—Fe—C25—C29 | 164.9 (3) |
| C23—Fe—C21—C20 | 81.5 (3) | C22—Fe—C25—C29 | −160.6 (5) |
| C22—Fe—C21—C20 | 117.7 (4) | C27—Fe—C25—C29 | −80.6 (4) |
| C27—Fe—C21—C20 | −162.7 (3) | C28—Fe—C25—C29 | −37.9 (4) |
| C28—Fe—C21—C20 | 164.8 (5) | C28—C27—C26—C25 | −0.3 (6) |
| C25—Fe—C27—C26 | −37.2 (4) | Fe—C27—C26—C25 | 59.1 (4) |
| C29—Fe—C27—C26 | −82.8 (4) | C28—C27—C26—Fe | −59.3 (4) |
| C20—Fe—C27—C26 | 46.3 (7) | C29—C25—C26—C27 | 0.2 (6) |
| C24—Fe—C27—C26 | −161.7 (6) | Fe—C25—C26—C27 | −59.9 (4) |
| C23—Fe—C27—C26 | 162.8 (4) | C29—C25—C26—Fe | 60.2 (4) |
| C21—Fe—C27—C26 | 79.4 (4) | C25—Fe—C26—C27 | 120.1 (5) |
| C22—Fe—C27—C26 | 121.6 (4) | C29—Fe—C26—C27 | 80.3 (4) |
| C28—Fe—C27—C26 | −120.4 (6) | C20—Fe—C26—C27 | −161.7 (3) |
| C25—Fe—C27—C28 | 83.2 (4) | C24—Fe—C26—C27 | 160.4 (6) |
| C29—Fe—C27—C28 | 37.6 (4) | C23—Fe—C26—C27 | −42.0 (8) |
| C26—Fe—C27—C28 | 120.4 (6) | C21—Fe—C26—C27 | −118.8 (4) |
| C20—Fe—C27—C28 | 166.6 (5) | C22—Fe—C26—C27 | −76.7 (4) |
| C24—Fe—C27—C28 | −41.3 (8) | C28—Fe—C26—C27 | 36.6 (3) |
| C23—Fe—C27—C28 | −76.8 (4) | C29—Fe—C26—C25 | −39.8 (3) |
| C21—Fe—C27—C28 | −160.2 (3) | C20—Fe—C26—C25 | 78.2 (4) |
| C22—Fe—C27—C28 | −118.0 (4) | C24—Fe—C26—C25 | 40.3 (8) |
| C25—Fe—C23—C22 | 167.1 (5) | C23—Fe—C26—C25 | −162.1 (6) |
| C29—Fe—C23—C22 | −160.0 (3) | C21—Fe—C26—C25 | 121.1 (3) |
| C26—Fe—C23—C22 | −47.7 (7) | C22—Fe—C26—C25 | 163.3 (3) |
| C20—Fe—C23—C22 | 81.6 (3) | C27—Fe—C26—C25 | −120.1 (5) |
| C24—Fe—C23—C22 | 120.8 (4) | C28—Fe—C26—C25 | −83.5 (4) |
| C21—Fe—C23—C22 | 37.0 (3) | C27—C28—C29—C25 | −0.1 (6) |
| C27—Fe—C23—C22 | −78.1 (4) | Fe—C28—C29—C25 | −59.5 (4) |
| C28—Fe—C23—C22 | −118.5 (3) | C27—C28—C29—Fe | 59.5 (4) |
| C25—Fe—C23—C24 | 46.3 (7) | C26—C25—C29—C28 | −0.1 (6) |
| C29—Fe—C23—C24 | 79.2 (4) | Fe—C25—C29—C28 | 60.8 (4) |
| C26—Fe—C23—C24 | −168.5 (5) | C26—C25—C29—Fe | −60.9 (3) |
| C20—Fe—C23—C24 | −39.2 (3) | C25—Fe—C29—C28 | −117.8 (6) |
| C21—Fe—C23—C24 | −83.8 (3) | C26—Fe—C29—C28 | −79.7 (4) |
| C22—Fe—C23—C24 | −120.8 (4) | C20—Fe—C29—C28 | 163.1 (3) |
| C27—Fe—C23—C24 | 161.1 (3) | C24—Fe—C29—C28 | 121.1 (4) |
| C28—Fe—C23—C24 | 120.7 (3) | C23—Fe—C29—C28 | 78.6 (4) |
| C5—C4—C3—C2 | 2.0 (7) | C21—Fe—C29—C28 | −161.4 (6) |
| C1—C2—C3—C4 | −1.5 (6) | C22—Fe—C29—C28 | 45.3 (8) |
| C24—C23—C22—C21 | −0.3 (6) | C27—Fe—C29—C28 | −36.8 (4) |
| Fe—C23—C22—C21 | −58.6 (3) | C26—Fe—C29—C25 | 38.1 (3) |
| C24—C23—C22—Fe | 58.4 (3) | C20—Fe—C29—C25 | −79.1 (4) |
| C20—C21—C22—C23 | −0.7 (5) | C24—Fe—C29—C25 | −121.1 (4) |
| Fe—C21—C22—C23 | 58.8 (3) | C23—Fe—C29—C25 | −163.6 (4) |
| C20—C21—C22—Fe | −59.5 (3) | C21—Fe—C29—C25 | −43.6 (9) |
| C25—Fe—C22—C23 | −167.2 (6) | C22—Fe—C29—C25 | 163.1 (5) |
| C29—Fe—C22—C23 | 46.7 (7) | C27—Fe—C29—C25 | 81.0 (4) |
| C26—Fe—C22—C23 | 160.7 (3) | C28—Fe—C29—C25 | 117.8 (6) |
| C20—Fe—C22—C23 | −81.9 (3) | C11—C10—C9—C8 | −0.1 (7) |
| C24—Fe—C22—C23 | −37.3 (3) | C7—C8—C9—C10 | −0.4 (7) |
| C21—Fe—C22—C23 | −120.8 (4) | C17—C16—C15—C14 | 0.8 (9) |
| C27—Fe—C22—C23 | 120.2 (3) | C13—C14—C15—C16 | 0.3 (8) |
| C28—Fe—C22—C23 | 79.2 (3) | C9—C10—C11—C12 | 0.3 (8) |
| C25—Fe—C22—C21 | −46.4 (7) | C7—C12—C11—C10 | −0.1 (7) |