Information card for entry 4319383

Structure parameters

• Formula: C5 H12 Ca N2 O9
• Calculated formula: C5 H12 Ca N2 O9
• Title of publication: The Effect of pH on the Dimensionality of Coordination Polymers
• Authors of publication: Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1271 - 1283
• a: 7.711 ± 0.002 Å
• b: 15.574 ± 0.003 Å
• c: 9.341 ± 0.002 Å
• α: 90°
• β: 96.73 ± 0.03°
• γ: 90°
• Cell volume: 1114 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No