Information card for entry 2215273

Structure parameters

• Chemical name: Tetraaquabis(4,4'-bipyridine)cobalt(II) 2-aminonaphthalene-1-sulfonate hexahydrate
• Formula: C40 H52 Co N6 O16 S2
• Calculated formula: C40 H52 Co N6 O16 S2
• SMILES: c1c[n](ccc1c1ccncc1)[Co]([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)([OH2])[OH2].O=S(=O)([O-])c1c2ccccc2ccc1N.O.O.O.Nc1c(S(=O)(=O)[O-])c2ccccc2cc1.O.O.O
• Title of publication: Tetraaquabis(4,4'-bipyridine)cobalt(II) 2-aminonaphthalene-1-sulfonate hexahydrate
• Authors of publication: Ming-Jie Wu; Pei-Xia Dai; Xiu-Guang Wang; En-Cui Yang; Xiao-Jun Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2413 - m2413
• a: 12.4737 ± 0.0014 Å
• b: 18.358 ± 0.002 Å
• c: 10.9196 ± 0.0013 Å
• α: 90°
• β: 114.148 ± 0.001°
• γ: 90°
• Cell volume: 2281.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes