Information card for entry 2228590

Structure parameters

• Chemical name: Bis[tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] hexaaquacobalt(II) bis[3,5-bis(carboxylatomethoxy)benzoate] tetrahydrate
• Formula: C46 H66 Co3 N4 O34
• Calculated formula: C46 H66 Co3 N4 O34
• SMILES: c1ccc2ccc3c4c2[n]1[Co]([n]4ccc3)([OH2])([OH2])([OH2])[OH2].O=C([O-])c1cc(OCC(=O)[O-])cc(c1)OCC(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1ccc2ccc3c4c2[n]1[Co]([n]4ccc3)([OH2])([OH2])([OH2])[OH2].[O-]C(=O)c1cc(OCC(=O)[O-])cc(OCC(=O)[O-])c1.O.O
• Title of publication: Bis[tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] hexaaquacobalt(II) bis[3,5-bis(carboxylatomethoxy)benzoate] tetrahydrate
• Authors of publication: Song, Hui-Ying; Wang, Xiao-Juan; Qiu, Shi-Zhen; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1577 - m1578
• a: 7.0924 ± 0.0001 Å
• b: 20.3779 ± 0.0004 Å
• c: 20.181 ± 0.0003 Å
• α: 90°
• β: 99.063 ± 0.001°
• γ: 90°
• Cell volume: 2880.31 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes