Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7702123
Preview
Coordinates | 7702123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H54 B18 N2 |
---|---|
Calculated formula | C24 H52.52 B18 N2 |
Title of publication | Double deboronation and homometalation of 1,1'-bis(ortho-carborane). |
Authors of publication | Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 6 |
Pages of publication | 1811 - 1821 |
a | 8.8436 ± 0.0012 Å |
b | 10.5897 ± 0.0011 Å |
c | 11.103 ± 0.002 Å |
α | 116.225 ± 0.006° |
β | 101.483 ± 0.007° |
γ | 104.113 ± 0.005° |
Cell volume | 846.5 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0773 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1184 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/7702123.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.