Information card for entry 7209860

Structure parameters

• Formula: C45 H27 N18 O12 Zn3
• Calculated formula: C45 H27 N18 O12 Zn3
• Title of publication: Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands
• Authors of publication: Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 5713
• a: 12.8475 ± 0.001 Å
• b: 19.5073 ± 0.0015 Å
• c: 17.9838 ± 0.0013 Å
• α: 90°
• β: 95.312 ± 0.001°
• γ: 90°
• Cell volume: 4487.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No