Information card for entry 4303687

Structure parameters

• Formula: C47 H33 F12 N3 O9 Zn2
• Calculated formula: C47 H33 F12 N3 O9 Zn2
• 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: 29.671 ± 0.006 Å
• b: 7.8424 ± 0.0016 Å
• c: 23.24 ± 0.005 Å
• α: 90°
• β: 121.07 ± 0.003°
• γ: 90°
• Cell volume: 4631.9 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No