Information card for entry 4329974

Structure parameters

• Formula: C9 H9 N2 Ni O6
• Calculated formula: C9 H9 N2 Ni O6
• Title of publication: Bistable Dynamic Coordination Polymer Showing Reversible Structural and Functional Transformations
• Authors of publication: Sanjog S. Nagarkar; Raja Das; Pankaj Poddar; Sujit K. Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8317 - 8321
• a: 11.7933 ± 0.0008 Å
• b: 10.9709 ± 0.0007 Å
• c: 15.6524 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No