Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2016532
Preview
Coordinates | 2016532.cif |
---|---|
Structure factors | 2016532.hkl |
Original IUCr paper | HTML |
Common name | (1,10-phenanthroline)(DMSO)copper(II) dibromide |
---|---|
Chemical name | Dibromido(dimethyl sulfoxide-κO)(1,10-phenanthroline-κ^2^N,N')copper(II) |
Formula | C14 H14 Br2 Cu N2 O S |
Calculated formula | C14 H14 Br2 Cu N2 O S |
SMILES | [Cu]1(Br)(Br)([n]2cccc3ccc4ccc[n]1c4c23)[O]=S(C)C |
Title of publication | Dibromido(dimethyl sulfoxide-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) |
Authors of publication | Oh, Myeong-Jin; Kim, Hee-Jin; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 4 |
Pages of publication | m153 - m155 |
a | 8.3984 ± 0.0002 Å |
b | 14.0857 ± 0.0003 Å |
c | 14.5004 ± 0.0003 Å |
α | 90° |
β | 106.667 ± 0.002° |
γ | 90° |
Cell volume | 1643.29 ± 0.06 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0805 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2016532.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.