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Information card for entry 2204817
Preview
Coordinates | 2204817.cif |
---|---|
Structure factors | 2204817.hkl |
Original IUCr paper | HTML |
Chemical name | Chloro[2-(1-ethyl-1H-benzoimidazol-2-yl)phenol-κN]o[2-(1-ethyl-1H- benzoimidazol-2-yl)phenolato-κ^2^N^3^,O]zinc(II) |
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Formula | C30 H27 Cl N4 O2 Zn |
Calculated formula | C30 H27 Cl N4 O2 Zn |
SMILES | [Zn]1(Cl)(Oc2ccccc2c2[n]1c1ccccc1[n]2CC)[n]1c([n](c2ccccc12)CC)c1c(O)cccc1 |
Title of publication | Chloro[2-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)phenol-κ<i>N</i>^3^][2-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)phenolato-κ^2^<i>N</i>^3^,<i>O</i>]zinc(II) |
Authors of publication | Tong, Yi-Ping; Ye, Bao-Hui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1927 - m1929 |
a | 11.6509 ± 0.001 Å |
b | 18.0743 ± 0.0017 Å |
c | 16.5092 ± 0.0016 Å |
α | 90° |
β | 128.36 ± 0.002° |
γ | 90° |
Cell volume | 2726 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1239 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1375 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204817.html
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Users of the data should acknowledge the original authors of the
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