Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087981
Preview
Coordinates | 4087981.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H59 Cr N4 O5 P Si |
---|---|
Calculated formula | C48 H59 Cr N4 O5 P Si |
SMILES | [Cr](P[Si]1(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].c1ccccc1C |
Title of publication | Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes |
Authors of publication | Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 24 |
Pages of publication | 5703 |
a | 18.478 ± 0.0003 Å |
b | 17.5211 ± 0.0003 Å |
c | 29.6613 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9603 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.0804 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1267 |
Weighted residual factors for all reflections included in the refinement | 0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4087981.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.