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Information card for entry 4068669
Preview
Coordinates | 4068669.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | pentacarbonyl[4-bis(trimethylsilyl)methyl-5-methyl-2-phenyl- 1,3,4-oxazaphosphol-2-ene -κP)Tungsten(0) |
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Formula | C21 H28 N O6 P Si2 W |
Calculated formula | C21 H28 N O6 P Si2 W |
SMILES | [W]([P]1(N=C(C)OC1c1ccccc1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | First Brønsted Acid-Induced Ring Expansion of an Oxaphosphirane Complex: A Combined Experimental and DFT Study |
Authors of publication | Helten, Holger; Pérez, Janaina Marinas; Daniels, Jörg; Streubel, Rainer |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 1221 |
a | 16.5242 ± 0.0002 Å |
b | 17.2471 ± 0.0002 Å |
c | 18.535 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5282.37 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0449 |
Weighted residual factors for all reflections included in the refinement | 0.047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
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/4068669.html
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