Information card for entry 4331961

Structure parameters

• Formula: C20 H20 Cu N4 O12 S2
• Calculated formula: C20 H20 Cu N4 O12 S2
• 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: 9.7716 ± 0.0009 Å
• b: 9.8378 ± 0.0007 Å
• c: 11.9907 ± 0.0012 Å
• α: 90°
• β: 90.77 ± 0.008°
• γ: 90°
• Cell volume: 1152.57 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No