Information card for entry 4350824

Structure parameters

• Formula: C12 H14 Cd N5 O3
• Calculated formula: C12 H14 Cd N5 O3
• Title of publication: A new self-penetrating amine-decorated microporous metal–organic framework: Crystal structure, adsorption selectivity, and luminescence properties
• Authors of publication: Shi, Zheng-Hai; Zhang, Li; Yu, Hai-Yan
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2015
• Journal volume: 54
• Pages of publication: 77 - 80
• a: 36.417 ± 0.017 Å
• b: 9.831 ± 0.005 Å
• c: 10.995 ± 0.005 Å
• α: 90°
• β: 106.189 ± 0.008°
• γ: 90°
• Cell volume: 3780 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0799
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No