Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036110
Preview
Coordinates | 7036110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H42 B N3 P2 Se |
---|---|
Calculated formula | C42 H42 B N3 P2 Se |
SMILES | B1(N(c2c(cc(cc2C)C)C)P(c2ccccc2)(c2ccccc2)=N[P+](c2ccccc2)(c2ccccc2)N1c1c(cc(cc1C)C)C)[Se-] |
Title of publication | Reactivity of a dihydroboron species: synthesis of a hydroborenium complex and an expedient entry into stable thioxo- and selenoxo-boranes. |
Authors of publication | Jaiswal, Kuldeep; Prashanth, Billa; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 36 |
Pages of publication | 15779 - 15785 |
a | 37.392 ± 0.003 Å |
b | 37.392 ± 0.003 Å |
c | 10.8529 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 15174 ± 3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0822 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1326 |
Weighted residual factors for all reflections included in the refinement | 0.1459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7036110.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.