Information card for entry 7108458

Structure parameters

• Formula: C74 H52 Cd Cu2 N18 S2
• Calculated formula: C74 H52 Cd Cu2 N18 S2
• 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: 23.1765 ± 0.0008 Å
• b: 29.624 ± 0.0009 Å
• c: 14.4219 ± 0.0004 Å
• α: 90°
• β: 121.958 ± 0.001°
• γ: 90°
• Cell volume: 8401 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No