Information card for entry 4312251

Structure parameters

• Common name: Cadmium chloride-copper(II) pyridylacetylacetonate (1:2) tetrahydrofuran solvate hydrate'
• Formula: C64 H89 Cd Cl2 Cu2 N4 O14.5
• Calculated formula: C64 H88 Cd Cl2 Cu2 N4 O14.5
• Title of publication: Porous Cu-Cd Mixed-Metal-Organic Frameworks Constructed from Cu(Pyac)2{Bis[3-(4-pyridyl)pentane-2,4-dionato]copper(II)}
• Authors of publication: Banglin Chen; Frank R. Fronczek; Andrew W. Maverick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8209 - 8211
• a: 21.768 ± 0.007 Å
• b: 21.903 ± 0.008 Å
• c: 7.817 ± 0.003 Å
• α: 90°
• β: 106.04 ± 0.014°
• γ: 90°
• Cell volume: 3582 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.081
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No