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Information card for entry 2219445
Preview
Coordinates | 2219445.cif |
---|---|
Structure factors | 2219445.hkl |
Original IUCr paper | HTML |
Chemical name | Pentacarbonyl-2κ^5^<i>C</i>-chlorido-1κ<i>Cl</i>-bis[1(η^5^)- cyclopentadienyl][μ-oxido(phenyl)methylene- 1:2κ^2^<i>O</i>:<i>C</i>]hafnium(IV)tungsten(0) |
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Formula | C22 H15 Cl Hf O6 W |
Calculated formula | C22 H15 Cl Hf O6 W |
SMILES | [Hf]12345678(Cl)([O]=C([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c9ccccc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Pentacarbonyl-2κ^5^<i>C</i>-chlorido-1κ<i>Cl</i>-bis[1(η^5^)-cyclopentadienyl][μ-oxido(phenyl)methylene-1:2κ^2^<i>O</i>:<i>C</i>]hafnium(IV)tungsten(0) |
Authors of publication | Esterhuysen, Catharine; Nel, I. B. Jacques; Cronje, Stephanie |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 9 |
Pages of publication | m1150 |
a | 8.5422 ± 0.0002 Å |
b | 12.5546 ± 0.0003 Å |
c | 21.0237 ± 0.0007 Å |
α | 90° |
β | 96.152 ± 0.001° |
γ | 90° |
Cell volume | 2241.68 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.044 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.074 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/2219445.html
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Users of the data should acknowledge the original authors of the
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