Information card for entry 4329595

Structure parameters

• Formula: C13 H5 Cd N4 O5
• Calculated formula: C13 H5 Cd N4 O5
• Title of publication: Three-Dimensional Metal-Organic Framework with Highly Polar Pore Surface: H2 and CO2 Storage Characteristics
• Authors of publication: Kolleboyina Jayaramulu; Sandeep Kumar Reddy; Arpan Hazra; Sundaram Balasubramanian; Tapas Kumar Maji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7103 - 7111
• a: 22.382 ± 0.003 Å
• b: 10.7731 ± 0.0015 Å
• c: 13.5326 ± 0.0018 Å
• α: 90°
• β: 100.108 ± 0.006°
• γ: 90°
• Cell volume: 3212.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No