Information card for entry 2216107

Structure parameters

• Chemical name: Bis[μ-(2-carboxylatoethyl)phosphonato]bis[aqua(2,2'-bipyridine)cobalt(II)]
• Formula: C26 H30 Co2 N4 O12 P2
• Calculated formula: C26 H30 Co2 N4 O12 P2
• SMILES: c1cccc2c3cccc[n]3[Co]34([n]12)([O]=C(O3)CCP(=O)(O)O[Co]12([n]3ccccc3c3cccc[n]13)([O]=C(O2)CCP(=O)(O)O4)[OH2])[OH2]
• Title of publication: Bis[μ-(2-carboxylatoethyl)phosphonato]bis[aqua(2,2'-bipyridine)cobalt(II)]
• Authors of publication: Shao-Ming Ying; Yun Chen; Jun-Yue Lin; Guang-Pei Zhou; Jian-Hong Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2862 - m2862
• a: 8.6384 ± 0.0018 Å
• b: 17.701 ± 0.004 Å
• c: 20.619 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3152.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes