Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4077158
Preview
Coordinates | 4077158.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 B10 |
---|---|
Calculated formula | C16 H20 B10 |
SMILES | [BH]1234[C]5678Cc9ccccc9c9c(C[C]%10%1138[BH]385[BH]5%12%10[BH]%102%11[BH]2%115[B]5%13%14[BH]16([BH]735[BH]8%122%13)[BH]4%10%11%14)cccc9 |
Title of publication | Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes |
Authors of publication | Zi, Guofu; Li, Hung-Wing; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2002 |
Journal volume | 21 |
Journal issue | 24 |
Pages of publication | 5415 |
a | 6.6799 ± 0.0013 Å |
b | 12.698 ± 0.003 Å |
c | 21.689 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1839.7 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1281 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1935 |
Weighted residual factors for all reflections included in the refinement | 0.2282 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/4077158.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.