Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4306840
Preview
Coordinates | 4306840.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tp*MoS(catecholate) |
---|---|
Chemical name | (catecholato}{hydrotris(3,5-dimethylpyrazol-1-yl)borato}sulfidomolybdenum(V) |
Formula | C21 H26 B Mo N6 O2 S |
Calculated formula | C21.021 B1.001 Mo1.001 N6.006 O2.002 S1.001 |
Title of publication | Synthesis, Structural Characterization, and Multifrequency Electron Paramagnetic Resonance Studies of Mononuclear Thiomolybdenyl Complexes |
Authors of publication | Simon C. Drew; Jason P. Hill; Ian Lane; Graeme R. Hanson; Robert W. Gable; Charles G. Young |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 2373 - 2387 |
a | 14.167 ± 0.003 Å |
b | 18.89 ± 0.005 Å |
c | 17.547 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4695.8 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1152 |
Residual factor for significantly intense reflections | 0.0903 |
Weighted residual factors for significantly intense reflections | 0.2435 |
Weighted residual factors for all reflections included in the refinement | 0.2769 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
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/4306840.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.