Information card for entry 1517034

Structure parameters

• Formula: C12 H8 N4 Ni
• Calculated formula: C12 H8 N4 Ni
• Title of publication: Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties
• Authors of publication: Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 1 - 5
• a: 14.173 ± 0.002 Å
• b: 10.1535 ± 0.0013 Å
• c: 15.833 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2278.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No