Information card for entry 4500151

Structure parameters

• Formula: C8 H8 Ca O8
• Calculated formula: C8 H8 Ca O8
• Title of publication: Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations
• Authors of publication: Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 699
• a: 6.0146 ± 0.0002 Å
• b: 7.6214 ± 0.0003 Å
• c: 11.0855 ± 0.0005 Å
• α: 104.367 ± 0.002°
• β: 93.316 ± 0.002°
• γ: 91.769 ± 0.002°
• Cell volume: 490.9 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No