Information card for entry 7011597

Structure parameters

• Formula: C12 H12 N8 Ni O2
• Calculated formula: C12 H12 N8 Ni O2
• Title of publication: Characterization of two conformers in the co-ordination chemistry of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion: syntheses, crystal structures, and electrochemical study of nickel(ii) complexes
• Authors of publication: Galibert, Anne Marie; Cortadellas, Olivier; Soula, Brigitte; Donnadieu, Bruno; Fabre, Paul-Louis
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3743
• a: 9.6957 ± 0.0007 Å
• b: 11.3628 ± 0.0008 Å
• c: 13.8338 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1524.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No