Information card for entry 7106581

Structure parameters

• Formula: C25 H9 Cu2 N O9
• Calculated formula: C25 H9 Cu2 N O9
• Title of publication: A novel (3,36)-connected and self-interpenetrated metal-organic framework with high thermal stability and gas-sorption capabilities
• Authors of publication: Peng Zhang; Bao Li; Ying Zhao; Xianggao Meng; Tianle Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7722
• a: 31.105 ± 0.002 Å
• b: 31.105 ± 0.002 Å
• c: 31.105 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30095 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No