Information card for entry 2231077

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]- μ-sulfato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C12 H18 Co N2 O6 S
• Calculated formula: C12 H18 Co N2 O6 S
• SMILES: [Co]([OH2])([OH2])([n]1cc(ccc1)C)([n]1cc(ccc1)C)OS(=O)(=O)O[Co]([OH2])([OH2])(OS(=O)(=O)[O-])([n]1cc(C)ccc1)[n]1cc(ccc1)C
• Title of publication: <i>catena</i>-Poly[[diaquabis(3-methylpyridine-κ<i>N</i>)cobalt(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Alam, Naveed; Zeller, Matthias; Ahmad Tajidi, Nur Syamimi; Arifin, Zainudin; Mazhar, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1065 - m1066
• a: 15.132 ± 0.002 Å
• b: 16.687 ± 0.002 Å
• c: 6.4503 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1628.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes