Information card for entry 4505883

Structure parameters

• Formula: C13 H9 N O5 S Zn
• Calculated formula: C13 H9 N O5 S Zn
• Title of publication: Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties
• Authors of publication: Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1830
• a: 10.9338 ± 0.001 Å
• b: 12.3885 ± 0.0012 Å
• c: 9.6317 ± 0.0009 Å
• α: 90°
• β: 94.873 ± 0.002°
• γ: 90°
• Cell volume: 1299.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No