Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4317353
Preview
Coordinates | 4317353.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H44 Cl O3 P W Zr |
---|---|
Calculated formula | C35 H44 Cl O3 P W Zr |
SMILES | [W]1234(P(O[Zr]56789%10%11%12(Cl)([cH]%13[cH]8[cH]7[cH]6[cH]5%13)[cH]5[cH]%12[cH]%11[cH]%10[cH]95)c5c(cc(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45 |
Title of publication | Chemistry of the Oxophosphinidene Ligand. 2. Reactivity of the Anionic Complexes [MCp{P(O)R*}(CO)2]- (M = Mo, W; R* = 2,4,6-C6H2tBu3) Toward Electrophiles Based on Elements Different from Carbon. |
Authors of publication | María Alonso; M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 11595 - 11605 |
a | 11.1396 ± 0.0003 Å |
b | 17.1725 ± 0.0003 Å |
c | 18.0948 ± 0.0003 Å |
α | 90° |
β | 98.287 ± 0.001° |
γ | 90° |
Cell volume | 3425.3 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0596 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1311 |
Weighted residual factors for all reflections included in the refinement | 0.1453 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4317353.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.