Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082134
Preview
Coordinates | 4082134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H22 B12 |
---|---|
Calculated formula | C11 H22 B12 |
SMILES | [B]12345([BH]678[BH]9%101[BH]1%112[BH]2%123[BH]3%13%11[BH]%11%101[BH]179[BH]796[BH]6%10%14[BH]23([BH]%13%11176)[C]14%12%10[C]589%14CCC1)c1ccccc1 |
Title of publication | Synthesis and Characterization of 14-Vertex Carboranes |
Authors of publication | Zhang, Jian; Zheng, Fangrui; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7399 |
a | 8.6516 ± 0.0016 Å |
b | 12.949 ± 0.003 Å |
c | 15.19 ± 0.003 Å |
α | 90° |
β | 97.624 ± 0.003° |
γ | 90° |
Cell volume | 1686.7 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1424 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4082134.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.