Information card for entry 4500100

Structure parameters

• Formula: C8 H12 Cd N2 O4 S2
• Calculated formula: C8 H12 Cd N2 O4 S2
• Title of publication: Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties
• Authors of publication: Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 93
• a: 21.746 ± 0.004 Å
• b: 8.954 ± 0.0018 Å
• c: 6.159 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1199.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No