Information card for entry 7213836

Structure parameters

• Formula: C18 H22 Cd2 N4 O10 S
• Calculated formula: C18 H22 Cd2 N4 O10 S
• 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: 10.39 ± 0.002 Å
• b: 12.295 ± 0.003 Å
• c: 12.497 ± 0.003 Å
• α: 79.31 ± 0.03°
• β: 68.2 ± 0.03°
• γ: 69.58 ± 0.03°
• Cell volume: 1386.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No