Information card for entry 7201342

Structure parameters

• Formula: C8 H12 N6 Ni O6
• Calculated formula: C8 H12 N6 Ni O6
• Title of publication: Interconversion of two new nickel(II) coordination polymers with different topologies: synthesis, structure and magnetic properties
• Authors of publication: Hu, Bo-Wen; Zhao, Jiong-Peng; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 37
• Pages of publication: 6827
• a: 7.6673 ± 0.0015 Å
• b: 12.559 ± 0.003 Å
• c: 7.9117 ± 0.0016 Å
• α: 90°
• β: 118.58 ± 0.03°
• γ: 90°
• Cell volume: 669 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No