Information card for entry 4302916

Structure parameters

• Formula: C12 H8 N4 Ni O2
• Calculated formula: C12 H8 N4 Ni O2
• Title of publication: Structural, Luminescent, and Magnetic Properties of Three Novel Three-Dimensional Metal-Organic Frameworks Based on Hexadentate N,N'-bis(4-picolinoyl)hydrazine
• Authors of publication: Zhen-Lan Fang; Rong-Min Yu; Jian-Gang He; Qi-Sheng Zhang; Zhen-Guo Zhao; Can-Zhong Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7691 - 7697
• a: 4.869 ± 0.002 Å
• b: 10.819 ± 0.006 Å
• c: 10.908 ± 0.005 Å
• α: 90°
• β: 94.222 ± 0.011°
• γ: 90°
• Cell volume: 573 ± 0.5 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: 0.0415
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No