Information card for entry 7211917

Structure parameters

• Formula: C14 H14 Cu O6
• Calculated formula: C14 H14 Cu O6
• Title of publication: Versatile functionalities in MOFs assembled from the same building units: interplay of structural flexibility, rigidity and regularity
• Authors of publication: Kanoo, Prakash; Gurunatha, K. L.; Maji, Tapas Kumar
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 1322
• a: 16.1983 ± 0.0008 Å
• b: 14.3762 ± 0.0008 Å
• c: 12.8497 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2992.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No