Information card for entry 4508456

Structure parameters

• Formula: C7 H4 Cd N4 O3
• Calculated formula: C7 H4 Cd N4 O3
• Title of publication: Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate
• Authors of publication: Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4859
• a: 9.5712 ± 0.0019 Å
• b: 10.701 ± 0.002 Å
• c: 8.8631 ± 0.0018 Å
• α: 90°
• β: 111.14 ± 0.03°
• γ: 90°
• Cell volume: 846.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No