Information card for entry 4502710

Structure parameters

• Formula: C18 H14 Cu N4 O4 S2
• Calculated formula: C18 H14 Cu N4 O4 S2
• Title of publication: Zeolite-like Metal−Organic Framework Based on a Flexible 2-(1H-benzimidazol-2-ylthio)acetic Ligand: Synthesis, Structures, and Properties
• Authors of publication: Yu, Qun; Zeng, Yong-Fei; Zhao, Jiong-Peng; Yang, Qian; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1878
• a: 9.4427 ± 0.0019 Å
• b: 12.638 ± 0.003 Å
• c: 8.6742 ± 0.0017 Å
• α: 90°
• β: 112.48 ± 0.03°
• γ: 90°
• Cell volume: 956.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0823
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No