Information card for entry 4510760

Structure parameters

• Formula: C26 H14 Cd F6 N O4 S
• Calculated formula: C26 H14 Cd F6 N O4 S
• Title of publication: Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties
• Authors of publication: Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 3078
• a: 15.9717 ± 0.0015 Å
• b: 7.6328 ± 0.0007 Å
• c: 23.774 ± 0.002 Å
• α: 90°
• β: 96.924 ± 0.002°
• γ: 90°
• Cell volume: 2877.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No