Information card for entry 7106328

Structure parameters

• Formula: C144 H168 Cu6 I12 N72 O6
• Calculated formula: C144 H168 Cu6 I12.04 N72 O6
• 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: 23.178 ± 0.003 Å
• b: 23.178 ± 0.003 Å
• c: 20.105 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10801 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No