Information card for entry 7010452

Structure parameters

• Formula: C20 H36 Cu2 N14 O9
• Calculated formula: C20 H36 Cu2 N14 O9
• Title of publication: Complexation of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion with copper. Crystal structures and spectroscopic data of copper-(I) and -(II) complexes
• Authors of publication: Fabre, Paul-Louis; Galibert, Anne Marie; Soula, Brigitte; Dahan, Françoise; Castan, Paule
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1529
• a: 6.9816 ± 0.0013 Å
• b: 14.712 ± 0.003 Å
• c: 14.746 ± 0.003 Å
• α: 90°
• β: 90.35 ± 0.02°
• γ: 90°
• Cell volume: 1514.6 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No