Information card for entry 2218409

Structure parameters

• Common name: Co complex
• Chemical name: Tetraaquabis[1,1'-(4-methoxynaphthalene-1,3-diyldimethylene)pyridinium-3- carboxylate-κ<i>O</i>]cobalt(II) bis(perchlorate) hexahydrate
• Formula: C50 H60 Cl2 Co N4 O28
• Calculated formula: C50 H60 Cl2 Co N4 O28
• SMILES: C(=O)(c1ccc[n+](c1)Cc1c2ccccc2c(OC)c(c1)C[n+]1cccc(C(=O)[O-])c1)O[Co]([OH2])([OH2])(OC(=O)c1ccc[n+](c1)Cc1c2ccccc2c(OC)c(c1)C[n+]1cccc(c1)C(=O)[O-])([OH2])[OH2].[O-]Cl(=O)(=O)=O.O.O.O.[O-]Cl(=O)(=O)=O.O.O.O
• Title of publication: Tetraaquabis[1,1'-(4-methoxynaphthalene-1,3-diyldimethylene)pyridinium-3-carboxylate-κ<i>O</i>]cobalt(II) bis(perchlorate) hexahydrate
• Authors of publication: Wang, Guo-Hua; Xu, Feng-Bo; Li, Qing-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m813
• a: 7.9162 ± 0.0019 Å
• b: 12.703 ± 0.003 Å
• c: 14.757 ± 0.003 Å
• α: 71.159 ± 0.006°
• β: 89.759 ± 0.008°
• γ: 77.175 ± 0.007°
• Cell volume: 1365.7 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes