Information card for entry 7118387

Structure parameters

• Formula: C53 H100 N12 Ni2 O24
• Calculated formula: C53 H68 N12 Ni2 O24
• Title of publication: Solid state reconstructive phase transition from porous supramolecular network to porous coordination polymer.
• Authors of publication: Jiang, Xiang; Kou, Hui-Zhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 2952 - 2955
• a: 18.257 ± 0.011 Å
• b: 8.475 ± 0.006 Å
• c: 28.615 ± 0.013 Å
• α: 90°
• β: 129.59 ± 0.03°
• γ: 90°
• Cell volume: 3412 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2938
• Weighted residual factors for all reflections included in the refinement: 0.3237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No