Information card for entry 7043028

Structure parameters

• Formula: C250 H325 Cu8 I8 N39 Ni4 O28
• Calculated formula: C184 H176 Cu8 I8 N16 Ni4 O8
• Title of publication: A Chiral Salen-based MOF Catalytic Material with highly thermal, aqueous and chemical stabilities
• Authors of publication: Jiang, Huanfeng; jiawei, Li; Ren, Yanwei; Qi, Chaorong
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.42479 ± 0.0002 Å
• b: 35.8993 ± 0.0007 Å
• c: 36.7318 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24295.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.3141
• Weighted residual factors for all reflections included in the refinement: 0.3234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No