Information card for entry 4500101

Structure parameters

• Formula: C8 H12 N2 Ni O4 S2
• Calculated formula: C8 H12 N2 Ni 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: 5.897 ± 0.006 Å
• b: 10.146 ± 0.011 Å
• c: 10.077 ± 0.01 Å
• α: 90°
• β: 90.165 ± 0.006°
• γ: 90°
• Cell volume: 602.9 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1743
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No