Information card for entry 4502282

Structure parameters

• Formula: C20 H36 N20 O8 Zn2
• Calculated formula: C20 H36 N20 O8 Zn2
• SMILES: CCc1nc2c(nc1CC)c1nnnn1[Zn](n1c(c3c(nc(CC)c(CC)n3)c3nnnn3[Zn](n3nnnc23)([OH2])[OH2])nnn1)([OH2])[OH2].O.O.O.O
• 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: 7.7062 ± 0.0015 Å
• b: 10.66 ± 0.002 Å
• c: 11.619 ± 0.002 Å
• α: 114.72 ± 0.03°
• β: 104.23 ± 0.03°
• γ: 94.37 ± 0.03°
• Cell volume: 822.9 ± 0.4 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: 0.0537
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No