Information card for entry 4337068

Structure parameters

• Formula: C56 H40 Cd Cl2 Cu2 N12
• Calculated formula: C56 H40 Cd Cl2 Cu2 N12
• Title of publication: From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks
• Authors of publication: Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14439 - 14448
• a: 20.0626 ± 0.0004 Å
• b: 20.0626 ± 0.0004 Å
• c: 19.8105 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7973.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No