| Literature DB >> 25484783 |
Yaping Li1, Dajun Sun2, Julia Ming3, Liying Han4, Guanfang Su1.
Abstract
The title coordination polymer, {[Co2(C15H7O7)(OH)(C14Entities:
Keywords: (3,8)-connected tfz-d topology; CoII complex; crystal structure
Year: 2014 PMID: 25484783 PMCID: PMC4257313 DOI: 10.1107/S1600536814022806
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co2(C15H7O7)(OH)(C14H14N4)]·0.25H2O | |
| Triclinic, | |
| Hall symbol: -P 1 | |
| Mo | |
| µ = 1.28 mm−1 | |
| α = 95.596 (1)° | Block, red |
| β = 91.497 (1)° | 0.19 × 0.16 × 0.15 mm |
| γ = 118.728 (1)° |
| Bruker APEXII CCD diffractometer | 5314 independent reflections |
| Radiation source: fine-focus sealed tube | 4359 reflections with |
| Graphite monochromator | |
| φ and ω scans | θmax = 26.1°, θmin = 2.2° |
| Absorption correction: multi-scan ( | |
| 7626 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 atoms treated by a mixture of independent and constrained refinement | |
| 5314 reflections | (Δ/σ)max = 0.001 |
| 396 parameters | Δρmax = 0.37 e Å−3 |
| 1 restraint | Δρmin = −0.37 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) | |||||
| C4 | 1.2218 (3) | 0.9155 (3) | 0.33134 (18) | 0.0184 (6) | |
| C5 | 1.3041 (3) | 1.0414 (3) | 0.29083 (18) | 0.0174 (6) | |
| H5 | 1.3904 | 1.1145 | 0.3255 | 0.021* | |
| C6 | 1.2583 (3) | 1.0586 (3) | 0.19865 (18) | 0.0142 (5) | |
| C7 | 1.1319 (3) | 0.9514 (3) | 0.14908 (18) | 0.0149 (5) | |
| H7 | 1.0997 | 0.9645 | 0.0870 | 0.018* | |
| C8 | 1.3462 (3) | 1.1946 (3) | 0.15375 (18) | 0.0159 (5) | |
| C9 | 1.2867 (3) | 0.9886 (3) | 0.50570 (18) | 0.0189 (6) | |
| C10 | 1.2320 (3) | 1.0822 (3) | 0.5104 (2) | 0.0260 (6) | |
| H10 | 1.1758 | 1.0828 | 0.4553 | 0.031* | |
| C11 | 1.2605 (3) | 1.1752 (3) | 0.5968 (2) | 0.0235 (6) | |
| H11 | 1.2248 | 1.2409 | 0.5998 | 0.028* | |
| C12 | 1.3400 (3) | 1.1742 (3) | 0.67892 (19) | 0.0191 (6) | |
| C13 | 1.3897 (3) | 1.0762 (3) | 0.67393 (19) | 0.0217 (6) | |
| H13 | 1.4413 | 1.0720 | 0.7303 | 0.026* | |
| C14 | 1.3646 (3) | 0.9841 (3) | 0.58730 (19) | 0.0217 (6) | |
| H14 | 1.4005 | 0.9186 | 0.5839 | 0.026* | |
| C15 | 1.3742 (3) | 1.2825 (3) | 0.76871 (19) | 0.0186 (6) | |
| C16 | 0.8332 (3) | 0.2942 (3) | 0.1162 (2) | 0.0271 (7) | |
| H16 | 0.9160 | 0.3856 | 0.1245 | 0.033* | |
| C17 | 0.6168 (3) | 0.1286 (3) | 0.0961 (2) | 0.0338 (7) | |
| H17 | 0.5157 | 0.0803 | 0.0878 | 0.041* | |
| C18 | 0.6975 (3) | 0.0639 (3) | 0.0971 (2) | 0.0339 (7) | |
| H18 | 0.6645 | −0.0361 | 0.0897 | 0.041* | |
| C19 | 0.9626 (3) | 0.1515 (3) | 0.1249 (2) | 0.0323 (7) | |
| H19A | 1.0080 | 0.1586 | 0.0616 | 0.039* | |
| H19B | 0.9334 | 0.0554 | 0.1444 | 0.039* | |
| C20 | 1.0678 (3) | 0.2645 (3) | 0.2043 (2) | 0.0287 (7) | |
| C21 | 1.1660 (3) | 0.3964 (4) | 0.1793 (2) | 0.0356 (8) | |
| H21 | 1.1718 | 0.4114 | 0.1113 | 0.043* | |
| C22 | 1.2558 (3) | 0.5068 (4) | 0.2509 (2) | 0.0343 (8) | |
| H22 | 1.3203 | 0.5975 | 0.2321 | 0.041* | |
| C23 | 1.2520 (3) | 0.4855 (3) | 0.3500 (2) | 0.0281 (7) | |
| C24 | 1.1572 (3) | 0.3524 (3) | 0.3759 (2) | 0.0342 (8) | |
| H24 | 1.1557 | 0.3360 | 0.4435 | 0.041* | |
| C25 | 1.0645 (3) | 0.2427 (3) | 0.3038 (2) | 0.0345 (7) | |
| H25 | 0.9986 | 0.1526 | 0.3226 | 0.041* | |
| C26 | 1.3528 (3) | 0.6094 (3) | 0.4265 (2) | 0.0342 (8) | |
| H26A | 1.4452 | 0.6102 | 0.4324 | 0.041* | |
| H26B | 1.3701 | 0.7002 | 0.4029 | 0.041* | |
| C27 | 1.3559 (3) | 0.5860 (3) | 0.6085 (2) | 0.0255 (6) | |
| H27 | 1.4409 | 0.5794 | 0.6127 | 0.031* | |
| C28 | 1.1671 (3) | 0.5928 (3) | 0.6463 (2) | 0.0288 (7) | |
| H28 | 1.0927 | 0.5913 | 0.6835 | 0.035* | |
| C29 | 1.1776 (3) | 0.6075 (3) | 0.5482 (2) | 0.0315 (7) | |
| H29 | 1.1141 | 0.6190 | 0.5047 | 0.038* | |
| N3 | 1.2798 (2) | 0.5803 (2) | 0.68379 (16) | 0.0221 (5) | |
| N4 | 1.2985 (3) | 0.6023 (3) | 0.52460 (17) | 0.0277 (6) | |
| O3 | 1.30271 (18) | 1.19794 (18) | 0.06670 (12) | 0.0196 (4) | |
| O4 | 1.45267 (18) | 1.29275 (18) | 0.20484 (13) | 0.0215 (4) | |
| O5 | 1.2654 (2) | 0.89221 (18) | 0.42257 (12) | 0.0223 (4) | |
| O6 | 1.4105 (2) | 1.25737 (19) | 0.85136 (13) | 0.0226 (4) | |
| O7 | 1.3637 (2) | 1.39052 (19) | 0.75613 (13) | 0.0248 (4) | |
| O8 | 0.58483 (19) | 0.45012 (18) | 0.02893 (13) | 0.0166 (4) | |
| O1W | 1.333 (2) | 0.746 (2) | 0.1092 (16) | 0.165 (8)* | 0.25 |
| H8O | 0.632 (3) | 0.422 (3) | −0.0057 (19) | 0.030 (9)* | |
| C1 | 0.9122 (3) | 0.7102 (3) | 0.13668 (18) | 0.0178 (6) | |
| C2 | 1.0516 (3) | 0.8247 (3) | 0.18914 (18) | 0.0164 (5) | |
| C3 | 1.0979 (3) | 0.8066 (3) | 0.28083 (19) | 0.0186 (6) | |
| H3 | 1.0445 | 0.7200 | 0.3085 | 0.022* | |
| N1 | 0.7019 (2) | 0.2740 (2) | 0.10884 (17) | 0.0235 (5) | |
| N2 | 0.8355 (2) | 0.1701 (2) | 0.11079 (16) | 0.0225 (5) | |
| O1 | 0.86795 (18) | 0.58516 (18) | 0.15727 (14) | 0.0230 (4) | |
| O2 | 0.84879 (19) | 0.74906 (19) | 0.07745 (13) | 0.0236 (4) | |
| Co1 | 0.65561 (4) | 0.43648 (3) | 0.16976 (2) | 0.01604 (10) | |
| Co2 | 0.63498 (4) | 0.65449 (3) | 0.02558 (2) | 0.01564 (10) |
| C4 | 0.0237 (14) | 0.0168 (13) | 0.0139 (13) | 0.0096 (12) | −0.0039 (11) | 0.0018 (11) |
| C5 | 0.0176 (13) | 0.0149 (13) | 0.0162 (13) | 0.0058 (11) | −0.0041 (11) | −0.0010 (10) |
| C6 | 0.0146 (13) | 0.0114 (12) | 0.0153 (13) | 0.0053 (10) | 0.0013 (10) | 0.0016 (10) |
| C7 | 0.0168 (13) | 0.0147 (13) | 0.0134 (12) | 0.0080 (11) | −0.0032 (10) | 0.0016 (10) |
| C8 | 0.0151 (13) | 0.0157 (13) | 0.0169 (13) | 0.0077 (11) | −0.0019 (11) | 0.0019 (11) |
| C9 | 0.0240 (14) | 0.0160 (13) | 0.0120 (13) | 0.0065 (12) | −0.0025 (11) | 0.0009 (10) |
| C10 | 0.0348 (17) | 0.0297 (16) | 0.0174 (14) | 0.0195 (14) | −0.0073 (12) | 0.0004 (12) |
| C11 | 0.0288 (16) | 0.0224 (15) | 0.0230 (14) | 0.0159 (13) | −0.0035 (12) | 0.0021 (12) |
| C12 | 0.0225 (14) | 0.0146 (13) | 0.0156 (13) | 0.0054 (11) | −0.0009 (11) | 0.0024 (11) |
| C13 | 0.0248 (15) | 0.0229 (15) | 0.0165 (13) | 0.0111 (12) | −0.0050 (11) | 0.0027 (11) |
| C14 | 0.0299 (16) | 0.0211 (14) | 0.0171 (14) | 0.0155 (13) | −0.0063 (12) | 0.0006 (11) |
| C15 | 0.0163 (13) | 0.0167 (14) | 0.0185 (14) | 0.0045 (11) | 0.0002 (11) | 0.0035 (11) |
| C16 | 0.0248 (16) | 0.0171 (14) | 0.0359 (17) | 0.0082 (13) | −0.0020 (13) | −0.0008 (13) |
| C17 | 0.0245 (16) | 0.0193 (15) | 0.051 (2) | 0.0075 (13) | 0.0014 (14) | −0.0042 (14) |
| C18 | 0.0354 (18) | 0.0161 (15) | 0.047 (2) | 0.0097 (14) | 0.0055 (15) | 0.0023 (14) |
| C19 | 0.0388 (18) | 0.0387 (18) | 0.0306 (17) | 0.0297 (16) | −0.0061 (14) | −0.0051 (14) |
| C20 | 0.0317 (17) | 0.0363 (18) | 0.0267 (16) | 0.0252 (15) | −0.0032 (13) | −0.0060 (13) |
| C21 | 0.0322 (18) | 0.060 (2) | 0.0190 (15) | 0.0266 (17) | 0.0005 (13) | 0.0028 (15) |
| C22 | 0.0253 (17) | 0.044 (2) | 0.0289 (17) | 0.0129 (15) | 0.0007 (13) | 0.0078 (15) |
| C23 | 0.0265 (16) | 0.0365 (18) | 0.0230 (15) | 0.0165 (14) | 0.0007 (12) | 0.0045 (13) |
| C24 | 0.046 (2) | 0.0370 (18) | 0.0225 (16) | 0.0226 (16) | −0.0071 (14) | 0.0034 (14) |
| C25 | 0.044 (2) | 0.0308 (17) | 0.0320 (17) | 0.0221 (16) | −0.0051 (15) | 0.0015 (14) |
| C26 | 0.0279 (17) | 0.0392 (19) | 0.0248 (16) | 0.0075 (15) | −0.0015 (13) | 0.0070 (14) |
| C27 | 0.0231 (15) | 0.0245 (15) | 0.0243 (15) | 0.0087 (13) | −0.0089 (12) | 0.0015 (12) |
| C28 | 0.0274 (16) | 0.0282 (16) | 0.0300 (16) | 0.0126 (14) | −0.0033 (13) | 0.0064 (13) |
| C29 | 0.0261 (16) | 0.0342 (18) | 0.0313 (17) | 0.0121 (14) | −0.0063 (13) | 0.0083 (14) |
| N3 | 0.0227 (13) | 0.0186 (12) | 0.0223 (12) | 0.0084 (10) | −0.0047 (10) | 0.0019 (10) |
| N4 | 0.0277 (14) | 0.0245 (13) | 0.0230 (13) | 0.0066 (11) | −0.0042 (10) | 0.0035 (10) |
| O3 | 0.0197 (10) | 0.0154 (9) | 0.0169 (9) | 0.0028 (8) | −0.0040 (8) | 0.0057 (8) |
| O4 | 0.0186 (10) | 0.0165 (10) | 0.0182 (9) | 0.0000 (8) | −0.0043 (8) | 0.0018 (8) |
| O5 | 0.0359 (12) | 0.0168 (10) | 0.0123 (9) | 0.0119 (9) | −0.0070 (8) | 0.0007 (7) |
| O6 | 0.0324 (11) | 0.0194 (10) | 0.0159 (9) | 0.0133 (9) | −0.0044 (8) | −0.0009 (8) |
| O7 | 0.0352 (12) | 0.0159 (10) | 0.0236 (10) | 0.0131 (9) | −0.0012 (9) | 0.0006 (8) |
| O8 | 0.0170 (10) | 0.0111 (9) | 0.0185 (9) | 0.0046 (8) | −0.0016 (8) | 0.0006 (7) |
| C1 | 0.0170 (13) | 0.0163 (14) | 0.0152 (13) | 0.0042 (11) | 0.0010 (11) | 0.0027 (11) |
| C2 | 0.0172 (13) | 0.0141 (13) | 0.0160 (13) | 0.0062 (11) | 0.0000 (11) | 0.0018 (10) |
| C3 | 0.0218 (14) | 0.0137 (13) | 0.0182 (13) | 0.0069 (11) | −0.0001 (11) | 0.0033 (11) |
| N1 | 0.0225 (12) | 0.0168 (12) | 0.0292 (13) | 0.0086 (10) | −0.0038 (10) | 0.0005 (10) |
| N2 | 0.0278 (13) | 0.0208 (12) | 0.0219 (12) | 0.0155 (11) | −0.0028 (10) | −0.0028 (10) |
| O1 | 0.0160 (10) | 0.0139 (9) | 0.0337 (11) | 0.0030 (8) | −0.0038 (8) | 0.0049 (8) |
| O2 | 0.0169 (10) | 0.0174 (10) | 0.0257 (10) | −0.0009 (8) | −0.0063 (8) | 0.0079 (8) |
| Co1 | 0.01564 (19) | 0.01004 (18) | 0.01836 (19) | 0.00323 (15) | −0.00388 (14) | 0.00201 (14) |
| Co2 | 0.01722 (19) | 0.01009 (18) | 0.01444 (18) | 0.00264 (15) | −0.00307 (14) | 0.00217 (14) |
| C4—C3 | 1.381 (4) | C22—C23 | 1.383 (4) |
| C4—C5 | 1.391 (3) | C22—H22 | 0.9500 |
| C4—O5 | 1.398 (3) | C23—C24 | 1.386 (4) |
| C5—C6 | 1.393 (3) | C23—C26 | 1.519 (4) |
| C5—H5 | 0.9500 | C24—C25 | 1.390 (4) |
| C6—C7 | 1.386 (3) | C24—H24 | 0.9500 |
| C6—C8 | 1.508 (3) | C25—H25 | 0.9500 |
| C7—C2 | 1.390 (3) | C26—N4 | 1.460 (4) |
| C7—H7 | 0.9500 | C26—H26A | 0.9900 |
| C8—O4 | 1.248 (3) | C26—H26B | 0.9900 |
| C8—O3 | 1.268 (3) | C27—N3 | 1.312 (4) |
| C9—C10 | 1.385 (4) | C27—N4 | 1.346 (3) |
| C9—C14 | 1.388 (3) | C27—H27 | 0.9500 |
| C9—O5 | 1.388 (3) | C28—C29 | 1.357 (4) |
| C10—C11 | 1.386 (4) | C28—N3 | 1.371 (3) |
| C10—H10 | 0.9500 | C28—H28 | 0.9500 |
| C11—C12 | 1.390 (3) | C29—N4 | 1.370 (4) |
| C11—H11 | 0.9500 | C29—H29 | 0.9500 |
| C12—C13 | 1.388 (4) | N3—Co1i | 2.139 (2) |
| C12—C15 | 1.504 (4) | O3—Co2ii | 1.9848 (16) |
| C13—C14 | 1.390 (4) | O4—Co1iii | 2.0791 (17) |
| C13—H13 | 0.9500 | O6—Co2iv | 2.0247 (18) |
| C14—H14 | 0.9500 | O7—Co1iv | 2.1279 (19) |
| C15—O7 | 1.246 (3) | O8—Co2 | 2.0000 (17) |
| C15—O6 | 1.272 (3) | O8—Co1 | 2.0811 (17) |
| C16—N1 | 1.318 (4) | O8—Co2v | 2.1395 (18) |
| C16—N2 | 1.341 (3) | O8—H8O | 0.839 (17) |
| C16—H16 | 0.9500 | C1—O1 | 1.256 (3) |
| C17—C18 | 1.347 (4) | C1—O2 | 1.262 (3) |
| C17—N1 | 1.369 (4) | C1—C2 | 1.505 (3) |
| C17—H17 | 0.9500 | C2—C3 | 1.392 (3) |
| C18—N2 | 1.360 (4) | C3—H3 | 0.9500 |
| C18—H18 | 0.9500 | N1—Co1 | 2.134 (2) |
| C19—N2 | 1.482 (3) | O1—Co1 | 2.0860 (17) |
| C19—C20 | 1.508 (4) | O2—Co2 | 2.0813 (18) |
| C19—H19A | 0.9900 | Co1—O4vi | 2.0791 (17) |
| C19—H19B | 0.9900 | Co1—O7iv | 2.1279 (19) |
| C20—C21 | 1.383 (4) | Co1—N3i | 2.139 (2) |
| C20—C25 | 1.390 (4) | Co2—O3ii | 1.9848 (16) |
| C21—C22 | 1.381 (4) | Co2—O6iv | 2.0247 (18) |
| C21—H21 | 0.9500 | Co2—O8v | 2.1395 (18) |
| C3—C4—C5 | 121.2 (2) | N4—C26—H26B | 108.9 |
| C3—C4—O5 | 117.7 (2) | C23—C26—H26B | 108.9 |
| C5—C4—O5 | 120.9 (2) | H26A—C26—H26B | 107.8 |
| C4—C5—C6 | 119.0 (2) | N3—C27—N4 | 111.6 (3) |
| C4—C5—H5 | 120.5 | N3—C27—H27 | 124.2 |
| C6—C5—H5 | 120.5 | N4—C27—H27 | 124.2 |
| C7—C6—C5 | 119.9 (2) | C29—C28—N3 | 109.8 (3) |
| C7—C6—C8 | 120.4 (2) | C29—C28—H28 | 125.1 |
| C5—C6—C8 | 119.7 (2) | N3—C28—H28 | 125.1 |
| C6—C7—C2 | 120.7 (2) | C28—C29—N4 | 106.0 (3) |
| C6—C7—H7 | 119.6 | C28—C29—H29 | 127.0 |
| C2—C7—H7 | 119.6 | N4—C29—H29 | 127.0 |
| O4—C8—O3 | 126.2 (2) | C27—N3—C28 | 105.6 (2) |
| O4—C8—C6 | 118.0 (2) | C27—N3—Co1i | 121.73 (19) |
| O3—C8—C6 | 115.9 (2) | C28—N3—Co1i | 132.6 (2) |
| C10—C9—C14 | 120.6 (2) | C27—N4—C29 | 107.0 (2) |
| C10—C9—O5 | 123.5 (2) | C27—N4—C26 | 126.5 (3) |
| C14—C9—O5 | 115.8 (2) | C29—N4—C26 | 126.5 (2) |
| C9—C10—C11 | 119.0 (2) | C8—O3—Co2ii | 134.31 (16) |
| C9—C10—H10 | 120.5 | C8—O4—Co1iii | 132.65 (17) |
| C11—C10—H10 | 120.5 | C9—O5—C4 | 118.20 (19) |
| C10—C11—C12 | 121.4 (3) | C15—O6—Co2iv | 115.77 (17) |
| C10—C11—H11 | 119.3 | C15—O7—Co1iv | 144.04 (18) |
| C12—C11—H11 | 119.3 | Co2—O8—Co1 | 106.75 (8) |
| C13—C12—C11 | 118.7 (2) | Co2—O8—Co2v | 100.27 (8) |
| C13—C12—C15 | 122.1 (2) | Co1—O8—Co2v | 123.61 (8) |
| C11—C12—C15 | 119.2 (2) | Co2—O8—H8O | 116 (2) |
| C12—C13—C14 | 120.7 (2) | Co1—O8—H8O | 99 (2) |
| C12—C13—H13 | 119.7 | Co2v—O8—H8O | 112 (2) |
| C14—C13—H13 | 119.7 | O1—C1—O2 | 125.9 (2) |
| C9—C14—C13 | 119.5 (3) | O1—C1—C2 | 117.1 (2) |
| C9—C14—H14 | 120.2 | O2—C1—C2 | 117.0 (2) |
| C13—C14—H14 | 120.2 | C7—C2—C3 | 119.5 (2) |
| O7—C15—O6 | 124.9 (2) | C7—C2—C1 | 120.6 (2) |
| O7—C15—C12 | 116.9 (2) | C3—C2—C1 | 119.8 (2) |
| O6—C15—C12 | 118.2 (2) | C4—C3—C2 | 119.6 (2) |
| N1—C16—N2 | 111.8 (2) | C4—C3—H3 | 120.2 |
| N1—C16—H16 | 124.1 | C2—C3—H3 | 120.2 |
| N2—C16—H16 | 124.1 | C16—N1—C17 | 104.8 (2) |
| C18—C17—N1 | 110.1 (3) | C16—N1—Co1 | 120.66 (19) |
| C18—C17—H17 | 125.0 | C17—N1—Co1 | 129.3 (2) |
| N1—C17—H17 | 125.0 | C16—N2—C18 | 106.8 (2) |
| C17—C18—N2 | 106.5 (2) | C16—N2—C19 | 126.8 (2) |
| C17—C18—H18 | 126.8 | C18—N2—C19 | 126.2 (2) |
| N2—C18—H18 | 126.8 | C1—O1—Co1 | 125.59 (17) |
| N2—C19—C20 | 110.2 (2) | C1—O2—Co2 | 130.90 (16) |
| N2—C19—H19A | 109.6 | O4vi—Co1—O8 | 93.75 (7) |
| C20—C19—H19A | 109.6 | O4vi—Co1—O1 | 171.43 (7) |
| N2—C19—H19B | 109.6 | O8—Co1—O1 | 94.52 (7) |
| C20—C19—H19B | 109.6 | O4vi—Co1—O7iv | 90.30 (7) |
| H19A—C19—H19B | 108.1 | O8—Co1—O7iv | 95.87 (7) |
| C21—C20—C25 | 118.4 (3) | O1—Co1—O7iv | 86.61 (7) |
| C21—C20—C19 | 119.7 (3) | O4vi—Co1—N1 | 94.34 (8) |
| C25—C20—C19 | 121.7 (3) | O8—Co1—N1 | 90.45 (8) |
| C22—C21—C20 | 121.5 (3) | O1—Co1—N1 | 87.85 (8) |
| C22—C21—H21 | 119.2 | O7iv—Co1—N1 | 171.91 (8) |
| C20—C21—H21 | 119.2 | O4vi—Co1—N3i | 84.20 (8) |
| C21—C22—C23 | 120.0 (3) | O8—Co1—N3i | 177.78 (8) |
| C21—C22—H22 | 120.0 | O1—Co1—N3i | 87.50 (8) |
| C23—C22—H22 | 120.0 | O7iv—Co1—N3i | 83.32 (8) |
| C22—C23—C24 | 119.1 (3) | N1—Co1—N3i | 90.55 (9) |
| C22—C23—C26 | 118.5 (3) | O3ii—Co2—O8 | 140.83 (8) |
| C24—C23—C26 | 122.5 (3) | O3ii—Co2—O6iv | 104.88 (7) |
| C23—C24—C25 | 120.7 (3) | O8—Co2—O6iv | 113.82 (7) |
| C23—C24—H24 | 119.7 | O3ii—Co2—O2 | 86.27 (7) |
| C25—C24—H24 | 119.7 | O8—Co2—O2 | 98.24 (7) |
| C20—C25—C24 | 120.2 (3) | O6iv—Co2—O2 | 91.54 (8) |
| C20—C25—H25 | 119.9 | O3ii—Co2—O8v | 94.91 (7) |
| C24—C25—H25 | 119.9 | O8—Co2—O8v | 79.73 (8) |
| N4—C26—C23 | 113.2 (2) | O6iv—Co2—O8v | 89.87 (7) |
| N4—C26—H26A | 108.9 | O2—Co2—O8v | 177.87 (7) |
| C23—C26—H26A | 108.9 | ||
| C3—C4—C5—C6 | 1.6 (4) | C6—C7—C2—C3 | 1.0 (4) |
| O5—C4—C5—C6 | 178.5 (2) | C6—C7—C2—C1 | 178.1 (2) |
| C4—C5—C6—C7 | 0.3 (4) | O1—C1—C2—C7 | 158.0 (2) |
| C4—C5—C6—C8 | 179.9 (2) | O2—C1—C2—C7 | −23.4 (4) |
| C5—C6—C7—C2 | −1.6 (4) | O1—C1—C2—C3 | −24.9 (4) |
| C8—C6—C7—C2 | 178.8 (2) | O2—C1—C2—C3 | 153.7 (2) |
| C7—C6—C8—O4 | 174.1 (2) | C5—C4—C3—C2 | −2.2 (4) |
| C5—C6—C8—O4 | −5.5 (4) | O5—C4—C3—C2 | −179.2 (2) |
| C7—C6—C8—O3 | −5.3 (4) | C7—C2—C3—C4 | 0.9 (4) |
| C5—C6—C8—O3 | 175.1 (2) | C1—C2—C3—C4 | −176.3 (2) |
| C14—C9—C10—C11 | 2.3 (4) | N2—C16—N1—C17 | −1.2 (3) |
| O5—C9—C10—C11 | −179.5 (2) | N2—C16—N1—Co1 | 155.63 (18) |
| C9—C10—C11—C12 | −1.3 (4) | C18—C17—N1—C16 | 0.7 (4) |
| C10—C11—C12—C13 | −0.9 (4) | C18—C17—N1—Co1 | −153.4 (2) |
| C10—C11—C12—C15 | 176.8 (3) | N1—C16—N2—C18 | 1.2 (3) |
| C11—C12—C13—C14 | 2.2 (4) | N1—C16—N2—C19 | −174.3 (3) |
| C15—C12—C13—C14 | −175.4 (2) | C17—C18—N2—C16 | −0.8 (3) |
| C10—C9—C14—C13 | −1.0 (4) | C17—C18—N2—C19 | 174.8 (3) |
| O5—C9—C14—C13 | −179.4 (2) | C20—C19—N2—C16 | 36.0 (4) |
| C12—C13—C14—C9 | −1.3 (4) | C20—C19—N2—C18 | −138.8 (3) |
| C13—C12—C15—O7 | 158.7 (3) | O2—C1—O1—Co1 | −36.0 (4) |
| C11—C12—C15—O7 | −18.9 (4) | C2—C1—O1—Co1 | 142.50 (19) |
| C13—C12—C15—O6 | −21.7 (4) | O1—C1—O2—Co2 | 21.4 (4) |
| C11—C12—C15—O6 | 160.7 (2) | C2—C1—O2—Co2 | −157.07 (18) |
| N1—C17—C18—N2 | 0.1 (4) | Co2—O8—Co1—O4vi | 119.02 (9) |
| N2—C19—C20—C21 | −86.0 (3) | Co2v—O8—Co1—O4vi | 3.95 (11) |
| N2—C19—C20—C25 | 90.5 (3) | Co2—O8—Co1—O1 | −58.72 (9) |
| C25—C20—C21—C22 | −2.4 (5) | Co2v—O8—Co1—O1 | −173.79 (10) |
| C19—C20—C21—C22 | 174.3 (3) | Co2—O8—Co1—O7iv | 28.33 (9) |
| C20—C21—C22—C23 | 2.0 (5) | Co2v—O8—Co1—O7iv | −86.74 (11) |
| C21—C22—C23—C24 | 0.1 (5) | Co2—O8—Co1—N1 | −146.60 (9) |
| C21—C22—C23—C26 | 179.8 (3) | Co2v—O8—Co1—N1 | 98.33 (11) |
| C22—C23—C24—C25 | −1.8 (5) | Co2—O8—Co1—N3i | 97 (2) |
| C26—C23—C24—C25 | 178.5 (3) | Co2v—O8—Co1—N3i | −18 (2) |
| C21—C20—C25—C24 | 0.7 (5) | C1—O1—Co1—O4vi | −109.8 (5) |
| C19—C20—C25—C24 | −175.9 (3) | C1—O1—Co1—O8 | 54.9 (2) |
| C23—C24—C25—C20 | 1.4 (5) | C1—O1—Co1—O7iv | −40.8 (2) |
| C22—C23—C26—N4 | 152.3 (3) | C1—O1—Co1—N1 | 145.2 (2) |
| C24—C23—C26—N4 | −28.0 (4) | C1—O1—Co1—N3i | −124.2 (2) |
| N3—C28—C29—N4 | 0.7 (3) | C16—N1—Co1—O4vi | −147.6 (2) |
| N4—C27—N3—C28 | 0.3 (3) | C17—N1—Co1—O4vi | 2.9 (3) |
| N4—C27—N3—Co1i | −177.40 (17) | C16—N1—Co1—O8 | 118.6 (2) |
| C29—C28—N3—C27 | −0.6 (3) | C17—N1—Co1—O8 | −90.9 (3) |
| C29—C28—N3—Co1i | 176.76 (19) | C16—N1—Co1—O1 | 24.1 (2) |
| N3—C27—N4—C29 | 0.1 (3) | C17—N1—Co1—O1 | 174.6 (3) |
| N3—C27—N4—C26 | −178.5 (3) | C16—N1—Co1—O7iv | −22.8 (7) |
| C28—C29—N4—C27 | −0.4 (3) | C17—N1—Co1—O7iv | 127.7 (5) |
| C28—C29—N4—C26 | 178.1 (3) | C16—N1—Co1—N3i | −63.4 (2) |
| C23—C26—N4—C27 | 115.6 (3) | C17—N1—Co1—N3i | 87.1 (3) |
| C23—C26—N4—C29 | −62.6 (4) | Co1—O8—Co2—O3ii | 144.91 (9) |
| O4—C8—O3—Co2ii | −3.0 (4) | Co2v—O8—Co2—O3ii | −85.14 (12) |
| C6—C8—O3—Co2ii | 176.27 (17) | Co1—O8—Co2—O6iv | −44.69 (10) |
| O3—C8—O4—Co1iii | −39.8 (4) | Co2v—O8—Co2—O6iv | 85.26 (9) |
| C6—C8—O4—Co1iii | 140.96 (19) | Co1—O8—Co2—O2 | 50.69 (9) |
| C10—C9—O5—C4 | 18.1 (4) | Co2v—O8—Co2—O2 | −179.37 (7) |
| C14—C9—O5—C4 | −163.6 (2) | Co1—O8—Co2—O8v | −129.95 (12) |
| C3—C4—O5—C9 | −123.9 (3) | Co2v—O8—Co2—O8v | 0.0 |
| C5—C4—O5—C9 | 59.1 (3) | C1—O2—Co2—O3ii | −171.8 (2) |
| O7—C15—O6—Co2iv | 27.6 (3) | C1—O2—Co2—O8 | −31.0 (2) |
| C12—C15—O6—Co2iv | −151.95 (18) | C1—O2—Co2—O6iv | 83.4 (2) |
| O6—C15—O7—Co1iv | −17.9 (5) | C1—O2—Co2—O8v | −48 (2) |
| C12—C15—O7—Co1iv | 161.6 (2) |