Information card for entry 7043821

Structure parameters

• Chemical name: CubpyIL
• Formula: C22 H37 Cu N4 O12 P3
• Calculated formula: C22 H37 Cu N4 O12 P3
• Title of publication: Imidazolium cation transportation in a 1-D coordination polymer
• Authors of publication: Chen, Wenqian; Ogiwara, Naoki; Kadota, Kentaro; Panyarat, Kitt; Kitagawa, Susumu; Horike, Satoshi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 22.221 ± 0.004 Å
• b: 23.702 ± 0.005 Å
• c: 23.882 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12578 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.193
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No