Information card for entry 8103203

Structure parameters

• Chemical name: Crystal structure of [aqua-bis(2,2'-bipyridine)copper(ii)]- (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate) trihydrate
• Formula: C34 H30 Cu N4 O12 S2
• Calculated formula: C34 H30 Cu N4 O12 S2
• Title of publication: Crystal structure of aquabis(2,2'-bipyridyl-N,N')(9,10-dioxoanthracene-2,6-disulfonato)copper(II) — water (1:3), [Cu(H2O)(C10H8N2)2][C14H6S2O8] • 3H2O
• Authors of publication: Ning Zhao; Hong-Ling Li; Hui-Juan Han
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 547
• a: 11.116 ± 0.004 Å
• b: 11.168 ± 0.007 Å
• c: 15.082 ± 0.004 Å
• α: 80.23 ± 0.04°
• β: 82.57 ± 0.03°
• γ: 66.33 ± 0.04°
• Cell volume: 1686.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No