Information card for entry 4502288

Structure parameters

• Formula: C144 H84 Br8 Hg12 N80 O2
• Calculated formula: C144 H84 Br8 Hg12 N80 O2
• Title of publication: ZnIIand HgIIComplexes with 2,3-Substituted-5,6-di(1H-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes
• Authors of publication: Tao, Ying; Li, Jian-Rong; Chang, Ze; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 564
• a: 9.5499 ± 0.0019 Å
• b: 26.263 ± 0.005 Å
• c: 15.567 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3904.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No