Information card for entry 7038896

Structure parameters

• Formula: C48 H38 Cd2 N9 O9
• Calculated formula: C48 H38 Cd2 N9 O9
• Title of publication: Central-metal exchange, improved catalytic activity, photoluminescence properties of a new family of d(10) coordination polymers based on the 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.
• Authors of publication: Wang, Huarui; Huang, Chao; Han, Yanbing; Shao, Zhichao; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7776 - 7785
• a: 25.1439 ± 0.0005 Å
• b: 18.3001 ± 0.0003 Å
• c: 16.007 ± 0.0003 Å
• α: 90°
• β: 126.41 ± 0.002°
• γ: 90°
• Cell volume: 5927.6 ± 0.2 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.1019
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No