Information card for entry 2013742

Structure parameters

• Chemical name: mer-(4-Aminobenzenesulfonate-κN)triaqua(1,10-phenanthroline- κ^2^N,N')cobalt(II) chloride
• Formula: C18 H20 Cl Co N3 O6 S
• Calculated formula: C18 H20 Cl Co N3 O6 S
• SMILES: [Co]1([OH2])([OH2])([OH2])([n]2cccc3c2c2[n]1cccc2cc3)[NH2]c1ccc(S(=O)(=O)[O-])cc1.[Cl-]
• Title of publication: <i>mer</i>-(4-Aminobenzenesulfonato-κ<i>N</i>)triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) chloride
• Authors of publication: Ming-Hua Huang; Li-Hua Bi; Shao-Jun Dong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m30 - m32
• a: 7.0148 ± 0.001 Å
• b: 15.896 ± 0.004 Å
• c: 18.587 ± 0.005 Å
• α: 90°
• β: 96.548 ± 0.018°
• γ: 90°
• Cell volume: 2059.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes