Information card for entry 4001629

Structure parameters

• Formula: C18 H19 N Ni2 O11
• Calculated formula: C18 H14 N Ni2 O11
• Title of publication: Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units
• Authors of publication: Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 2
• Pages of publication: 303
• a: 13.5204 ± 0.0007 Å
• b: 10.7639 ± 0.0005 Å
• c: 14.6348 ± 0.0007 Å
• α: 90°
• β: 110.532 ± 0.001°
• γ: 90°
• Cell volume: 1994.54 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No