Information card for entry 4319382

Structure parameters

• Formula: C5 H14 Ca N2 O10
• Calculated formula: C5 H14 Ca N2 O10
• 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: 8.382 ± 0.002 Å
• b: 12.621 ± 0.003 Å
• c: 11.767 ± 0.002 Å
• α: 90°
• β: 98.91 ± 0.03°
• γ: 90°
• Cell volume: 1229.8 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No