Information card for entry 7108457

Structure parameters

• Formula: C75 H59 Cd Cl2 Cu2 N17 O
• Calculated formula: C75 H59 Cd Cl2 Cu2 N17 O
• Title of publication: Stepwise construction of grid-type Cu(II)/Cd(II) heterometallic MOFs based on an imidazole-appended dipyrrin ligand
• Authors of publication: Antoine Beziau; Stephane A. Baudron; Dmitry Pogozhev; Audrey Fluck; Mir Wais Hosseini
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10313
• a: 14.5401 ± 0.0004 Å
• b: 30.0895 ± 0.0011 Å
• c: 19.4195 ± 0.0005 Å
• α: 90°
• β: 97.736 ± 0.001°
• γ: 90°
• Cell volume: 8418.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No