Information card for entry 7206885

Structure parameters

• Formula: C53 H28 Cu2 O10
• Calculated formula: C26.5 H14 Cu O5
• Title of publication: A 9,9′-spirobifluorene based Metal‒Organic Framework: synthesis, structure analysis and gas sorption properties
• Authors of publication: Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril; Moizan-Baslé, Virginie; Ouvry, Jean
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 46
• Pages of publication: 18715
• a: 13.698 ± 0.005 Å
• b: 16.631 ± 0.005 Å
• c: 14.562 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.825 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3300.3 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No