Information card for entry 7203267

Structure parameters

• Formula: C8 H44 Co N2 O18 S2
• Calculated formula: C8 H44 Co N2 O18 S2
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.O.O
• Title of publication: Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer
• Authors of publication: Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 346
• a: 14.958 ± 0.0005 Å
• b: 14.166 ± 0.0004 Å
• c: 12.105 ± 0.0004 Å
• α: 90°
• β: 99.174 ± 0.002°
• γ: 90°
• Cell volume: 2532.18 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0718
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No