Information card for entry 4314784

Structure parameters

• Formula: C40 H24 Cu2 N4 O16
• Calculated formula: C40 H24 Cu2 N4 O16
• Title of publication: Series of 2D and 3D Coordination Polymers Based on 1,2,3,4-Benzenetetracarboxylate and N-Donor Ligands: Synthesis, Topological Structures, and Photoluminescent Properties
• Authors of publication: Lai-Ping Zhang; Jian-Fang Ma; Jin Yang; Yuan-Yuan Pang; Ji-Cheng Ma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1535 - 1550
• a: 16.382 ± 0.004 Å
• b: 17.179 ± 0.004 Å
• c: 13.067 ± 0.005 Å
• α: 90°
• β: 101.812 ± 0.011°
• γ: 90°
• Cell volume: 3599.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No