Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010373
Preview
Coordinates | 7010373.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Tl(L-b)] |
---|---|
Formula | C27 H48 N3 O Tl |
Calculated formula | C27 H48 N3 O Tl |
SMILES | [Tl]123[N]4(CC[N]1(CC[N]2(CC4)C(C)C)C(C)C)Cc1cc(cc(C(C)(C)C)c1O3)C(C)(C)C |
Title of publication | New main-group and early transition-metal complexes of mono-pendant arm triazacyclononane ligands |
Authors of publication | Bylikin, Sergei Y.; Robson, David A.; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 2 |
Pages of publication | 170 |
a | 9.523 ± 0.0004 Å |
b | 11.185 ± 0.0003 Å |
c | 13.65 ± 0.0006 Å |
α | 79.328 ± 0.003° |
β | 74.964 ± 0.002° |
γ | 78.089 ± 0.003° |
Cell volume | 1360.52 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 significantly intense reflections | 0.0297 |
Weighted residual factors for all reflections included in the refinement | 0.0361 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.7733 |
Diffraction radiation wavelength | 0.71069 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/7010373.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.