Information card for entry 7015102

Structure parameters

• Formula: C12 H9 Cd N5 O4 S
• Calculated formula: C12 H9 Cd N5 O4 S
• Title of publication: Hydrothermal synthesis, structure, and luminescent properties of selected Zn(II)/Cd(II) coordination polymers constructed from 3,5-bis(x-pyridyl)-1,2,4-triazole (x = 3, 4).
• Authors of publication: Xu, Qing-Feng; Ge, Jian-Feng; Zhou, Qiu-Xuan; Lu, Jian-Mei; Ji, Shun-Jun; Wang, Li-Hua; Zhang, Yong; Jin, Xue-Ming; Wu, Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2805 - 2814
• a: 6.7324 ± 0.0012 Å
• b: 21.804 ± 0.004 Å
• c: 9.5103 ± 0.0018 Å
• α: 90°
• β: 104.592 ± 0.003°
• γ: 90°
• Cell volume: 1351 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No