Information card for entry 4303690

Structure parameters

• Formula: C46 H44 Cd2 F12 N4 O12
• Calculated formula: C46 H44 Cd2 F12 N4 O12
• Title of publication: Self-Assembly of Metal-Organic Coordination Polymers Constructed from a Bent Dicarboxylate Ligand: Diversity of Coordination Modes, Structures, and Gas Adsorption
• Authors of publication: Wenbin Yang; Xiang Lin; Alexander J. Blake; Claire Wilson; Peter Hubberstey; Neil R. Champness; Martin Schröder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11067 - 11078
• a: 11.983 ± 0.002 Å
• b: 15.99 ± 0.002 Å
• c: 28.353 ± 0.003 Å
• α: 90°
• β: 104.736 ± 0.005°
• γ: 90°
• Cell volume: 5254 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No