Information card for entry 7209648

Structure parameters

• Formula: C12 H8 Cd2 K3 N9 O16
• Calculated formula: C12 H8 Cd2 K3 N9 O16
• Title of publication: Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties
• Authors of publication: Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2682
• a: 7.9992 ± 0.0004 Å
• b: 7.6259 ± 0.0003 Å
• c: 20.6651 ± 0.001 Å
• α: 90°
• β: 97.391 ± 0.004°
• γ: 90°
• Cell volume: 1250.12 ± 0.1 ų
• Cell temperature: 121.2 K
• Ambient diffraction temperature: 121.2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No