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Information card for entry 4076570
Preview
Coordinates | 4076570.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 11169a |
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Formula | C28 H27 O2 P W |
Calculated formula | C28 H27 O2 P W |
SMILES | [WH]12345(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[cH]46)CC[P]5(c1ccccc1)c1ccccc1.c1(ccccc1)C |
Title of publication | Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts |
Authors of publication | Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 6 |
Pages of publication | 2437 |
a | 9.0261 ± 0.001 Å |
b | 9.9033 ± 0.0011 Å |
c | 14.4336 ± 0.0015 Å |
α | 97.124 ± 0.001° |
β | 94.271 ± 0.001° |
γ | 111.755 ± 0.001° |
Cell volume | 1178.9 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0195 |
Residual factor for significantly intense reflections | 0.0177 |
Weighted residual factors for significantly intense reflections | 0.0396 |
Weighted residual factors for all reflections included in the refinement | 0.0403 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4076570.html
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Users of the data should acknowledge the original authors of the
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