Information card for entry 2216327

Structure parameters

• Chemical name: Tetraaqua(1,10-phenanthroline)cobalt(II) naphthalene-1,5-disulfonate dihydrate
• Formula: C22 H26 Co N2 O12 S2
• Calculated formula: C22 H26 Co N2 O12 S2
• SMILES: c1c2c(cccc2c(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].c1c2c3[n](ccc2)[Co]([n]2cccc(c1)c32)([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Tetraaqua(1,10-phenanthroline)cobalt(II) naphthalene-1,5-disulfonate dihydrate
• Authors of publication: Liu, Yin-Qiu; Wu, Yuan-Xiang; Zeng, Xi-Rui; Wen, He-Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3120 - m3120
• a: 20.578 ± 0.004 Å
• b: 12.431 ± 0.003 Å
• c: 12.462 ± 0.003 Å
• α: 90°
• β: 123.867 ± 0.002°
• γ: 90°
• Cell volume: 2647 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes