Information card for entry 4311185

Structure parameters

• Formula: C21 H21 Cd1.5 N2 O9
• Calculated formula: C21 H21 Cd1.5 N2 O9
• Title of publication: Synthesis and Characterization of a Novel Cadmium-Organic Framework with Trimesic Acid and 1,2-Bis(4-pyridyl)ethane
• Authors of publication: Filipe A. Almeida Paz; Jacek Klinowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3948 - 3954
• a: 10.8264 ± 0.0005 Å
• b: 17.4563 ± 0.0005 Å
• c: 24.2605 ± 0.0011 Å
• α: 90°
• β: 91.978 ± 0.002°
• γ: 90°
• Cell volume: 4582.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No