Information card for entry 1562096

Structure parameters

• Formula: C10 H11 Cu3 N12 O9.5
• Calculated formula: C10 H6 Cu3 N12 O8
• Title of publication: Selective adsorption in two porous triazolate‒oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid
• Authors of publication: Hou, Juan-Juan; Xu, Xia; Jiang, Ning; Wu, Ya-Qin; Zhang, Xian-Ming
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 223
• Pages of publication: 73 - 78
• a: 11.2384 ± 0.0006 Å
• b: 14.8696 ± 0.0013 Å
• c: 16.6683 ± 0.0008 Å
• α: 90°
• β: 100.852 ± 0.005°
• γ: 90°
• Cell volume: 2735.6 ± 0.3 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: 0.0542
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No