Information card for entry 2005648

Structure parameters

• Formula: C22 H40 Co3 N4 O24
• Calculated formula: C22 H40 Co3 N4 O24
• SMILES: C1C(=O)O[Co]2345[N]1(CC(C[N]2(CC(=O)O4)CC(=O)O5)O)CC(=O)O3.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C1C(C[N]23CC(=O)O[Co]453([N]1(CC(=O)O4)CC(=O)O5)OC(=O)C2)O
• Title of publication: Hexaaquacobalt(II) Bis[(2-Hydroxy-1,3-propanediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)cobalt(III)]
• Authors of publication: Chen, X.-M.; Chen, H.-A.; Wu, B.-M.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2693 - 2695
• a: 16.434 ± 0.002 Å
• b: 6.99 ± 0.003 Å
• c: 16.204 ± 0.002 Å
• α: 90°
• β: 117.83 ± 0.01°
• γ: 90°
• Cell volume: 1646.1 ± 0.8 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: 0.0553
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.1225
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No