Information card for entry 7010064

Structure parameters

• Formula: C9 H6 N8 Ni O
• Calculated formula: C9 H6 N8 Ni O
• Title of publication: Syntheses, structures and magnetic properties of three-dimensional co-ordination polymers constructed by dimer subunits
• Authors of publication: Sun, Bai-Wang; Gao, Song; Ma, Bao-Qing; Niu, De-Zhong; Wang, Zhe-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4187
• a: 9.7889 ± 0.0005 Å
• b: 11.7071 ± 0.0006 Å
• c: 10.5283 ± 0.0004 Å
• α: 90°
• β: 94.61 ± 0.003°
• γ: 90°
• Cell volume: 1202.64 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No