Information card for entry 7210571

Structure parameters

• Formula: C22 H20 Cd N14 O2 S2
• Calculated formula: C22 H20 Cd N14 O2 S2
• Title of publication: Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene
• Authors of publication: Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 8097
• a: 8.905 ± 0.003 Å
• b: 11.572 ± 0.004 Å
• c: 14.981 ± 0.004 Å
• α: 90°
• β: 120.87 ± 0.014°
• γ: 90°
• Cell volume: 1325.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No