Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2208774
Preview
Coordinates | 2208774.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis[N-(quinolin-8-yl)-2,4,6-triisopropylbenzene-sulfonamidato-κ^2^N,\ N'] copper(II) |
---|---|
Formula | C48 H58 Cu N4 O4 S2 |
Calculated formula | C48 H58 Cu N4 O4 S2 |
SMILES | c1ccc2cccc3c2[n]1[Cu]1([n]2cccc4cccc(c24)N1S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)N3S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |
Title of publication | Bis[2,4,6-triisopropyl-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']copper(II) |
Authors of publication | da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | m912 - m913 |
a | 24.513 ± 0.002 Å |
b | 9.4679 ± 0.0007 Å |
c | 19.6 ± 0.001 Å |
α | 90° |
β | 102.14 ± 0.006° |
γ | 90° |
Cell volume | 4447.2 ± 0.5 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/2208774.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.