Information card for entry 7106470

Structure parameters

• Formula: C32 H34.5 Cu5 N4 O36.25
• Calculated formula: C32 H14 Cu5 N4 O26
• Title of publication: CO catalytic oxidation by metal organic framework containing high density of reactive copper sites
• Authors of publication: Yonggang Zhao; Moothetty Padmanabhan; Qihan Gong; Nobuko Tsumori; Qiang Xu; Jing Li
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6377
• a: 10.851 ± 0.003 Å
• b: 11.497 ± 0.004 Å
• c: 11.603 ± 0.004 Å
• α: 75.086 ± 0.005°
• β: 62.443 ± 0.005°
• γ: 62.128 ± 0.005°
• Cell volume: 1132.9 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No