Information card for entry 2213152

Structure parameters

• Chemical name: Di-μ~2~-acetato-tetrakis(4-aminopyridine)diaquabis(μ~3~-biphenyl-2,2'- dicarboxylato)tricobalt(II) N,N'-dimethylformamide tetrasolvate
• Formula: C64 H78 Co3 N12 O18
• Calculated formula: C64 H78 Co3 N12 O18
• SMILES: c12c(cccc1)C(=O)[O]1[Co]3456[O](C(=O)c7ccccc27)[Co]([n]2ccc(N)cc2)([n]2ccc(N)cc2)([O]4C(=O)c2c(c4c(C(=O)[O]3[Co]1([n]1ccc(N)cc1)([n]1ccc(N)cc1)([O]=C(O5)C)[OH2])cccc4)cccc2)([O]=C(O6)C)[OH2].N(C)(C)C=O.N(C=O)(C)C.N(C)(C)C=O.N(C=O)(C)C
• Title of publication: Di-μ~2~-acetato-tetrakis(4-aminopyridine)diaquabis(μ~3~-biphenyl-2,2'-dicarboxylato)tricobalt(II) <i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate
• Authors of publication: Zhang, Zheng; Zhou, Yi-Li; He, Hong-Yin; Yu, Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1235 - m1236
• a: 12.2379 ± 0.0017 Å
• b: 11.166 ± 0.0015 Å
• c: 25.985 ± 0.004 Å
• α: 90°
• β: 96.571 ± 0.002°
• γ: 90°
• Cell volume: 3527.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes