Information card for entry 4506021

Structure parameters

• Formula: C10 H10 Ca N2 O5
• Calculated formula: C10 H10 Ca N2 O5
• Title of publication: Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks
• Authors of publication: Plonka, Anna M.; Banerjee, Debasis; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2460
• a: 6.4275 ± 0.0004 Å
• b: 16.387 ± 0.0012 Å
• c: 10.9764 ± 0.0009 Å
• α: 90°
• β: 99.182 ± 0.006°
• γ: 90°
• Cell volume: 1141.3 ± 0.15 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: 0.0537
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No