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Information card for entry 7012109
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Coordinates | 7012109.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Chloro-tris[5-tertbutylpyrazole]zinc(II) chloride |
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Formula | C21 H36 Cl2 N6 Zn |
Calculated formula | C21 H36 Cl2 N6 Zn |
SMILES | [Zn](Cl)([n]1[nH]c(cc1)C(C)(C)C)([n]1[nH]c(cc1)C(C)(C)C)[n]1[nH]c(cc1)C(C)(C)C.[Cl-] |
Title of publication | Supramolecular anion binding by the [ZnCl(HpztBu)3]+ cation (HpztBu = 5-tert-butylpyrazole) |
Authors of publication | Renard, Sylvie L.; Kilner, Colin A.; Fisher, Julie; Halcrow, Malcolm A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 22 |
Pages of publication | 4206 |
a | 17.2537 ± 0.0003 Å |
b | 10.6738 ± 0.0001 Å |
c | 14.6666 ± 0.0002 Å |
α | 90° |
β | 103.742 ± 0.0005° |
γ | 90° |
Cell volume | 2623.73 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7012109.html
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