Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4508367
Preview
Coordinates | 4508367.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Chloro(nitrosyl)(dicarbonyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum toluene solvate |
---|---|
Formula | C45 H36 Cl Mo N O4 P2 |
Calculated formula | C45 H36 Cl Mo N O4 P2 |
Title of publication | Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation |
Authors of publication | Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz |
Journal of publication | ACS Catalysis |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 10 |
Pages of publication | 2208 |
a | 11.5883 ± 0.0001 Å |
b | 13.8586 ± 0.0001 Å |
c | 24.9475 ± 0.0002 Å |
α | 90° |
β | 101.155 ± 0.001° |
γ | 90° |
Cell volume | 3930.82 ± 0.06 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 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 | 0.045 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0809 |
Weighted residual factors for all reflections included in the refinement | 0.0834 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4508367.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.