Information card for entry 7017353

Structure parameters

• Formula: C76 H78 N16 Ni2 O19
• Calculated formula: C76 H78 N16 Ni2 O19
• Title of publication: Six new metal-organic frameworks with multi-carboxylic acids and imidazole-based spacers: syntheses, structures and properties.
• Authors of publication: Wang, Feng; Ke, Xiaohuan; Zhao, Jinbo; Deng, Kejian; Leng, Xiaoke; Tian, Zhengfang; Wen, Lili; Li, Dongfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11856 - 11865
• a: 8.9784 ± 0.0018 Å
• b: 15.352 ± 0.003 Å
• c: 27.656 ± 0.006 Å
• α: 90°
• β: 97.26 ± 0.03°
• γ: 90°
• Cell volume: 3781.4 ± 1.4 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: 0.1561
• Residual factor for significantly intense reflections: 0.1312
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.384
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No