Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039748
Preview
Coordinates | 7039748.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(dppe)(3,5-(CF3)2C6H3CN)Mo(NNCy)][BArF24] |
---|---|
Formula | C99 H74 B F30 Mo N3 P4 |
Calculated formula | C99 H74 B F30 Mo N3 P4 |
Title of publication | Thermodynamics of N-H bond formation in bis(phosphine) molybdenum(ii) diazenides and the influence of the trans ligand. |
Authors of publication | Bezdek, Máté J; Chirik, Paul J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 40 |
Pages of publication | 15922 - 15930 |
a | 16.2486 ± 0.0008 Å |
b | 16.4787 ± 0.0007 Å |
c | 20.267 ± 0.0009 Å |
α | 82.978 ± 0.002° |
β | 71.586 ± 0.002° |
γ | 82.613 ± 0.002° |
Cell volume | 5086.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0651 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1472 |
Weighted residual factors for all reflections included in the refinement | 0.1578 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7039748.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.