Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7103084
Preview
Coordinates | 7103084.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H21 B10 Br N2 |
---|---|
Calculated formula | C12 H21 B10 Br N2 |
Title of publication | Identification of an intermediate in the deboronation of ortho-carborane: an adduct of ortho-carborane with two nucleophiles on one boron atom. |
Authors of publication | Taoda, Yoshiyuki; Sawabe, Takehiko; Endo, Yasuyuki; Yamaguchi, Kentaro; Fujii, Shinya; Kagechika, Hiroyuki |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 17 |
Pages of publication | 2049 - 2051 |
a | 14.3278 ± 0.0006 Å |
b | 9.9958 ± 0.0004 Å |
c | 12.7931 ± 0.0005 Å |
α | 90° |
β | 90.098 ± 0.001° |
γ | 90° |
Cell volume | 1832.2 ± 0.13 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
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 | 0.0351 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0708 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/7103084.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.