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Information card for entry 2003627
Preview
Coordinates | 2003627.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI) |
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Formula | C15 H29 Cl O6 W |
Calculated formula | C15 H29 Cl O6 W |
SMILES | [W]123(OCC(O1)CCl)(OC(C)(C(O2)(C)C)C)OC(C)(C(O3)(C)C)C |
Title of publication | (3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI) |
Authors of publication | Lehtonen, A.; Sillanpää, R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 7 |
Pages of publication | 1270 - 1271 |
a | 9.315 ± 0.003 Å |
b | 12.995 ± 0.005 Å |
c | 8.913 ± 0.003 Å |
α | 105.63 ± 0.03° |
β | 104.29 ± 0.03° |
γ | 69.98 ± 0.03° |
Cell volume | 961.9 ± 0.6 Å3 |
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 | 0.0813 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections | 0.1225 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Goodness-of-fit parameter for all reflections | 1.056 |
Goodness-of-fit parameter for significantly intense reflections | 1.076 |
Diffraction radiation wavelength | 0.71069 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/2003627.html
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Users of the data should acknowledge the original authors of the
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