Information card for entry 2018686

Structure parameters

• Chemical name: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>']]
• Formula: C20 H38 Co3 N4 O23 S3
• Calculated formula: C20 H38 Co3 N4 O23 S3
• SMILES: [Co]([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])([OH2])OS(=O)(=O)[O-].[Co]([OH2])([OH2])(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])(OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]
• Authors of publication: Zhong, Kai-Long; Qian, Ming-Yi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m265 - m268
• a: 7.286 ± 0.0015 Å
• b: 11.246 ± 0.002 Å
• c: 11.462 ± 0.002 Å
• α: 72.21 ± 0.03°
• β: 73.57 ± 0.03°
• γ: 83.5 ± 0.03°
• Cell volume: 857.4 ± 0.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0798
• 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: No