Information card for entry 4502091

Structure parameters

• Formula: C144 H150 Cl2 N26 Ni7 O36
• Calculated formula: C132 H104 N20 Ni7 O24
• Title of publication: Metal−Organic Frameworks with Diverse Structures Constructed by Using Capsule-like Ligand and NiIIBased on Ionothermal and Hydrothermal Methods
• Authors of publication: Liu, Hong-Sheng; Lan, Ya-Qian; Li, Shun-Li
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 5221
• a: 17.591 ± 0.0002 Å
• b: 22.781 ± 0.0003 Å
• c: 19.058 ± 0.0002 Å
• α: 90°
• β: 93.225 ± 0.001°
• γ: 90°
• Cell volume: 7625.22 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No