Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4323513
Preview
Coordinates | 4323513.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H11 Mo O5 P |
---|---|
Calculated formula | C18 H11 Mo O5 P |
SMILES | [Mo]([P]1(C)c2ccccc2c2ccccc12)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Single-Crystal 31P NMR and X-ray Diffraction Study of a Molybdenum Phosphine Complex: (5-Methyldibenzophosphole)pentacarbonylmolybdenum(0) |
Authors of publication | Klaus Eichele; Roderick E. Wasylishen; Kalyani Maitra; John H. Nelson; James F. Britten |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 3539 - 3544 |
a | 31.113 ± 0.002 Å |
b | 7.7917 ± 0.0005 Å |
c | 17.9522 ± 0.0012 Å |
α | 90° |
β | 122.135 ± 0.004° |
γ | 90° |
Cell volume | 3685.3 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0299 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for all reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.0584 |
Goodness-of-fit parameter for all reflections | 1.104 |
Goodness-of-fit parameter for significantly intense reflections | 1.131 |
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/4323513.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.