Information card for entry 7213835

Structure parameters

• Formula: C12 H12 Cd N2 O6
• Calculated formula: C12 H12 Cd N2 O6
• Title of publication: Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units
• Authors of publication: Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1113
• a: 9.86 ± 0.002 Å
• b: 13.113 ± 0.003 Å
• c: 11.65 ± 0.002 Å
• α: 90°
• β: 101.99 ± 0.03°
• γ: 90°
• Cell volume: 1473.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2763
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No