Information card for entry 7207458

Structure parameters

• Formula: C54 H41 Cu6 N O36
• Calculated formula: C54 H24 Cu6 N O35.75
• Title of publication: A pcu-type metal‒organic framework based on covalently quadruple cross-linked supramolecular building blocks (SBBs): structure and adsorption properties
• Authors of publication: Li, Chuanqiang; Qiu, Wenge; Shi, Wei; Song, Haibin; Bai, Guangmei; He, Hong; Li, Jian; Zaworotko, Michael J.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1929
• a: 23.567 ± 0.0006 Å
• b: 23.567 ± 0.0006 Å
• c: 46.997 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26102.3 ± 1.5 ų
• Cell temperature: 123 ± 0 K
• Ambient diffraction temperature: 123 ± 0 K
• Number of distinct elements: 5
• Space group number: 124
• Hermann-Mauguin space group symbol: P 4/m c c
• Hall space group symbol: -P 4 2c
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.537
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No