Information card for entry 7702694

Structure parameters

• Formula: C13 H18 Cl2 Cu N6 O8
• Calculated formula: C13 H18 Cl2 Cu N6 O8
• Title of publication: A tris-imidazolecarboxyaldehyde copper(ii) complex with unusual carbonyl co-ordination: structure and reactivity
• Authors of publication: Domínguez-Vera, Jose M.; Rodríguez, Antonio; Cuesta, Rafael; Kivekäs, Raikko; Colacio, Enrique
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 561
• a: 12.241 ± 0.003 Å
• b: 10.048 ± 0.003 Å
• c: 17.149 ± 0.005 Å
• α: 90°
• β: 109.35 ± 0.03°
• γ: 90°
• Cell volume: 1990.1 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No