Information card for entry 8102636

Structure parameters

• Common name: Diaqua(1,10-phenanthroline)Co(II) methanedisulfonate
• Chemical name: Diaqua(1,10-phenanthroline)Co(II) methanedisulfonate
• Formula: C13 H14 Co N2 O8 S2
• Calculated formula: C13 H14 Co N2 O8 S2
• SMILES: [Co]12(OS(=O)(=O)CS(=O)(=O)O1)([OH2])([n]1cccc3c1c1[n]2cccc1cc3)[OH2]
• Title of publication: Crystal structure of diaqua-(1,10-phenanthroline)cobalt(II) methanedisulfonate, Co(H2O)2(C12H8N2)[CH2(SO3)2]
• Authors of publication: Wei-Qiu Kan; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 171
• a: 7.6945 ± 0.0008 Å
• b: 9.5636 ± 0.0016 Å
• c: 12.0123 ± 0.0014 Å
• α: 84.689 ± 0.012°
• β: 77.452 ± 0.009°
• γ: 87.4 ± 0.011°
• Cell volume: 858.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No