Information card for entry 7011596

Structure parameters

• Formula: C9 H18 N6 Ni O9
• Calculated formula: C9 H18 N6 Ni O9
• 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: 6.966 ± 0.005 Å
• b: 10.812 ± 0.005 Å
• c: 11.699 ± 0.005 Å
• α: 99.044 ± 0.005°
• β: 90.794 ± 0.005°
• γ: 105.502 ± 0.005°
• Cell volume: 837.1 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No