| Literature DB >> 25484783 |
Yaping Li1, Dajun Sun2, Julia Ming3, Liying Han4, Guanfang Su1.
Abstract
The title coordination polymer, {[Co2(C15H7O7)(OH)(C14H14N4)]·0.25H2O} n , was synthesized under hydro-thermal conditions. The asymmetric unit contains two Co(2+) ions, one L (3-) anion originating from 5-(4-carb-oxy-phen-oxy)isophthalic acid (H3 L), one OH(-) ligand, one 1,4-bis-[(1H-imidazol-l-yl)meth-yl]benzene (bix) ligand and one disordered lattice water mol-ecule (occupancy 0.25). The two Co(2+) ions have different environments. One has an octa-hedral O4N2 coordin-ation sphere, defined by four O atoms from three carboxyl-ate groups and one OH(-) ligand, and two N atoms from two symmetry-related bix ligands. The other has a trigonal-bipyramidal O5 coordination sphere resulting from three carboxyl-ate groups and two OH(-) ligands. The dihedral angles between the two benzene rings in the L (3-) ligand and between the benzene ring and the two imidazole rings in the bix ligand are 67.05 (15), 75.27 (17) and 82.05 (17)°, respectively. Four neighbouring Co(2+) ions are linked by six carboxyl-ate groups and two μ 3-OH ligands, forming a butterfly-shaped secondary building unit (SBU). These SBUs are connected by L (3-) anions into layers parallel to (1-10). Adjacent layers are cross-linked by the bix ligands, forming a three-dimensional framework that has a bimodal (3,8)-connected tfz-d topology. The disordered lattice water mol-ecule is located in the voids of the framework and has O⋯O and O⋯N contacts of 2.81 (2) and 2.95 (2) Å, suggesting medium-strength hydrogen bonds. The title compound may be a good candidate for artificial eye lenses.Entities:
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) |