Information card for entry 4502287

Structure parameters

• Formula: C72 H54 Hg4 N40 O7
• Calculated formula: C72 H54 Hg4 N40 O7
• 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: 7.2484 ± 0.0014 Å
• b: 16.064 ± 0.003 Å
• c: 17.506 ± 0.003 Å
• α: 73.78 ± 0.03°
• β: 79.86 ± 0.03°
• γ: 83.75 ± 0.03°
• Cell volume: 1922.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No