Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241064
Preview
Coordinates | 2241064.cif |
---|---|
Structure factors | 2241064.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(3-bromomesityl)(quinolin-1-ium-8-yl)boron(III) tribromide |
---|---|
Formula | C27 H26.82 B Br5.18 N |
Calculated formula | C27 H26.825 B Br5.175 N |
Title of publication | Crystal structure of bis(3-bromomesityl)(quinolin-1-ium-8-yl)boron(III) tribromide |
Authors of publication | Son, Jungho; Tamang, Sem Raj; Hoefelmeyer, James D. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 9 |
Pages of publication | 1114 - 1116 |
a | 8.8469 ± 0.001 Å |
b | 11.2365 ± 0.0013 Å |
c | 14.7528 ± 0.0018 Å |
α | 79.6 ± 0.002° |
β | 85.158 ± 0.002° |
γ | 87.994 ± 0.002° |
Cell volume | 1437 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1194 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241064.cif 2241064.hkl |
153801 | 2015-08-30 | cif/ hkl/ Adding structures of 2241064 via cif-deposit CGI script. |
2241064.cif 2241064.hkl |
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.