Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706619
Preview
Coordinates | 7706619.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H36 B2 O2 V2 |
---|---|
Calculated formula | C20 H33.604 B2 O2 V2 |
Title of publication | Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study. |
Authors of publication | Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 11 |
Pages of publication | 4036 - 4044 |
a | 7.7603 ± 0.0018 Å |
b | 14.896 ± 0.004 Å |
c | 10.661 ± 0.002 Å |
α | 90° |
β | 106.229 ± 0.009° |
γ | 90° |
Cell volume | 1183.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1409 |
Residual factor for significantly intense reflections | 0.0786 |
Weighted residual factors for significantly intense reflections | 0.1932 |
Weighted residual factors for all reflections included in the refinement | 0.2385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7706619.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.