Information card for entry 4500147

Structure parameters

• Formula: C11 H12 Ca N2 O5
• Calculated formula: C11 H12 Ca N2 O5
• 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: 6.9707 ± 0.0002 Å
• b: 17.9921 ± 0.0007 Å
• c: 10.008 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1255.18 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.141
• 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