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Information card for entry 2205981
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Coordinates | 2205981.cif |
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Original IUCr paper | HTML |
Chemical name | Tris(4,4',5,5'-tetramethyl-2,2'-biimidazole)zinc(II) dinitrate |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2205981.html
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structural data.