Information card for entry 7206780

Structure parameters

• Formula: C12 H10 Cd N4 O4
• Calculated formula: C12 H10 Cd N4 O4
• Title of publication: Experimental and computational approach of understanding the gas adsorption in amino functionalized interpenetrated metal organic frameworks (MOFs)
• Authors of publication: Pachfule, Pradip; Chen, Yifei; Jiang, Jianwen; Banerjee, Rahul
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 44
• Pages of publication: 17737
• a: 12.869 ± 0.005 Å
• b: 23.643 ± 0.01 Å
• c: 24.9 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7576 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No