Information card for entry 2205981

Structure parameters

• Chemical name: Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate
• Formula: C30 H42 N14 O6 Zn
• Calculated formula: C30 H42 N14 O6 Zn
• SMILES: c1(C)[n]2c(c3[n](c(c(C)[nH]3)C)[Zn]342([n]2c(c([nH]c2c2[n]4c(c([nH]2)C)C)C)C)[n]2c(c(C)[nH]c2c2[n]3c(c(C)[nH]2)C)C)[nH]c1C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate
• Authors of publication: Ru-Qiang Zou; Qiang Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1075 - m1076
• a: 13.9 ± 0.002 Å
• b: 13.9 ± 0.002 Å
• c: 16.809 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2812.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 172
• Hermann-Mauguin space group symbol: P 64
• Hall space group symbol: P 64
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No