Information card for entry 4327882

Structure parameters

• Formula: C12 H7 Cd N O4
• Calculated formula: C12 H7 Cd N O4
• Title of publication: Selective CO2 Adsorption in a Robust and Water-Stable Porous Coordination Polymer with New Network Topology
• Authors of publication: Sanjog S. Nagarkar; Abhijeet K. Chaudhari; Sujit K. Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 572 - 576
• a: 15.385 ± 0.006 Å
• b: 14.237 ± 0.005 Å
• c: 6.918 ± 0.003 Å
• α: 90°
• β: 96.622 ± 0.008°
• γ: 90°
• Cell volume: 1505.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.1483
• Weighted residual factors for significantly intense reflections: 0.3883
• Weighted residual factors for all reflections included in the refinement: 0.3921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No