Information card for entry 2222096

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaqua(1<i>H</i>-imidazo[4,5-f][1,10] phenanthroline)cobalt(II)]-μ-sulfato]
• Formula: C13 H12 Co N4 O6 S
• Calculated formula: C13 H12 Co N4 O6 S
• SMILES: [Co]1([n]2cccc3c4[nH]cnc4c4ccc[n]1c4c23)([OH2])([OH2])(OS(=O)(=O)[O-])OS(=O)(=O)O[Co]1([n]2cccc3c4[nH]cnc4c4ccc[n]1c4c23)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)cobalt(II)]-μ-sulfato]
• Authors of publication: Yu, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m618
• a: 10.916 ± 0.004 Å
• b: 7.017 ± 0.002 Å
• c: 19.69 ± 0.007 Å
• α: 90°
• β: 99.353 ± 0.007°
• γ: 90°
• Cell volume: 1488.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1292
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes