Information card for entry 7113320

Structure parameters

• Formula: C64 H40 Cu2 N2 O8
• Calculated formula: C64 H40 Cu2 N2 O8
• Title of publication: A preferable molecular crystal membrane for H2 gas separation
• Authors of publication: Yuichi Takasaki; Satoshi Takamizawa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5662
• a: 16.589 ± 0.002 Å
• b: 16.589 ± 0.002 Å
• c: 9.584 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2637.5 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No