Information card for entry 2205745

Structure parameters

• Formula: C34 H34 Co2 N4 O16
• Calculated formula: C34 H34 Co2 N4 O16
• SMILES: c1ccc2ccc3ccc[n]4[Co]([n]1c2c34)([OH2])([OH2])([OH2])[OH2].C(=O)(c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-])[O-].c1ccc2ccc3ccc[n]4[Co]([n]1c2c34)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Bis[tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] 1,2,4,5-benzenetetracarboxylate
• Authors of publication: Dao-Yong Wang; Gang Liu; Bo Zheng; Jun Lu; Huai-Ming Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m925 - m927
• a: 7.3184 ± 0.0004 Å
• b: 9.8767 ± 0.0006 Å
• c: 12.5639 ± 0.0007 Å
• α: 76.6 ± 0.003°
• β: 88.384 ± 0.003°
• γ: 79.414 ± 0.003°
• Cell volume: 868.28 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes