Information card for entry 4331964

Structure parameters

• Formula: C10 H22 Co N2 O13 S
• Calculated formula: C10 H22 Co N2 O13 S
• SMILES: c1cc(ccn1=[O][Co]([OH2])([OH2])([OH2])([OH2])[OH2])c1ccn(cc1)=O.O.O.O=S(=O)([O-])[O-]
• Title of publication: Novel 3D, 2D, and 0D First-Row Coordination Compounds with 4,4‘-Bipyridine-N,N‘-dioxide Incorporating Sulfur-Containing Anions
• Authors of publication: González Mantero, Déborah; Neels, Antonia; Stoeckli-Evans, Helen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3287 - 3294
• a: 7.137 ± 0.001 Å
• b: 25.432 ± 0.002 Å
• c: 10.226 ± 0.001 Å
• α: 90°
• β: 92.59 ± 0.01°
• γ: 90°
• Cell volume: 1854.2 ± 0.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No