Information card for entry 4312250

Structure parameters

• Common name: Cadmium nitrate-copper(II) pyridylacetylacetonate (2:3) methanol solvate hydrate
• Formula: C63 H76 Cd2 Cu3 N10 O29
• Calculated formula: C63 H60 Cd2 Cu3 N10 O29
• 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: 13.817 ± 0.002 Å
• b: 15.205 ± 0.002 Å
• c: 17.044 ± 0.002 Å
• α: 111.732 ± 0.006°
• β: 111.661 ± 0.005°
• γ: 94.909 ± 0.006°
• Cell volume: 2987.2 ± 0.7 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No