Information card for entry 7106327

Structure parameters

• Formula: C144 H180 Cu6 N76 O31
• Calculated formula: C144 H180 Cu6 N76 O31
• Title of publication: Reversible single crystal to single crystal transformation with anion exchange-induced weak Cu2+ I- interactions and modification of the structures and properties of MOFs
• Authors of publication: Junhong Fu; Huijun Li; Yajuan Mu; Hongwei Hou; Yaoting Fan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5271
• a: 23.2603 ± 0.0005 Å
• b: 23.2603 ± 0.0005 Å
• c: 20.2085 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10933.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No