Information card for entry 4320955

Structure parameters

• Formula: C68 H76 Cd6 Cl2 N10 O38
• Calculated formula: C60 H40 Cd6 Cl2 N10 O31.5
• Title of publication: Pillared, 3D Metal-Organic Frameworks with Rectangular Channels. Synthesis and Characterization of Coordination Polymers Based on Tricadmium Carboxylates
• Authors of publication: Owen R. Evans; Wenbin Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2189 - 2198
• a: 19.0412 ± 0.0003 Å
• b: 23.654 ± 0.0004 Å
• c: 21.5681 ± 0.0003 Å
• α: 90°
• β: 95.44°
• γ: 90°
• Cell volume: 9670.5 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No