Information card for entry 2014701

Structure parameters

• Chemical name: μ-1,2-Bis(4-pyridyl)ethene-κ^2^N:N'-bis(tetraaqua{4-[2-(4- pyridinio)ethenyl]pyridine-κN}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate
• Formula: C36 H76 Co3 N6 O38 S4
• Calculated formula: C36 H76 Co3 N6 O38 S4
• SMILES: c1cc(cc[n]1[Co]([n]1ccc(cc1)/C=C/c1cc[nH+]cc1)([OH2])([OH2])([OH2])[OH2])/C=C/c1cc[n](cc1)[Co]([n]1ccc(cc1)/C=C/c1cc[nH+]cc1)([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].O.O.O.O.[O-]S(=O)(=O)[O-].S(=O)(=O)([O-])[O-].O.O.O.O
• Title of publication: μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>'-bis(tetraaqua{4-[2-(4-pyridinio)ethenyl]pyridine-κ<i>N</i>}cobalt(II)) hexaaquacobalt(II) tetrakis(sulfate) octahydrate
• Authors of publication: Xin-Hua Li; Hong-Ping Xiao; Sai-Zhen Yang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m112 - m114
• a: 10.2353 ± 0.0008 Å
• b: 12.1885 ± 0.0009 Å
• c: 24.9647 ± 0.0019 Å
• α: 90°
• β: 93.895 ± 0.002°
• γ: 90°
• Cell volume: 3107.2 ± 0.4 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: 0.083
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes