Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7105659
Preview
Coordinates | 7105659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H32 B20 Co2 |
---|---|
Calculated formula | C14 H32 B20 Co2 |
SMILES | [C]123([BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]34%14[BH]%1482[BH]289[CH]957[BH]561[BH]1%153[BH]295[BH]4%1481)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[C]123[BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]34%14[BH]%1482[BH]289[CH]957[BH]561[BH]1%153[BH]295[BH]4%1481)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131 |
Title of publication | The first supraicosahedral bis(heteroborane). |
Authors of publication | Ellis, David; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 39 |
Pages of publication | 7394 - 7396 |
a | 12.1973 ± 0.0008 Å |
b | 11.6516 ± 0.0008 Å |
c | 17.1287 ± 0.0011 Å |
α | 90° |
β | 91.279 ± 0.003° |
γ | 90° |
Cell volume | 2433.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0876 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1346 |
Weighted residual factors for all reflections included in the refinement | 0.1594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
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/7105659.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.