Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4503903
Preview
Coordinates | 4503903.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(2,5-di-p-tolyl-1,3,4-oxadiazolyl-C2,N)iridium(O,O'-diethyldithiophosphate) |
---|---|
Formula | C36 H36 Ir N4 O4 P S2 |
Calculated formula | C36 H36 Ir N4 O4 P S2 |
Title of publication | Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes |
Authors of publication | Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge |
Journal of publication | Crystal Growth & Design |
Year of publication | 2007 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 39 |
a | 11.943 ± 0.002 Å |
b | 11.978 ± 0.002 Å |
c | 13.793 ± 0.003 Å |
α | 70.35 ± 0.03° |
β | 75.84 ± 0.03° |
γ | 89.6 ± 0.03° |
Cell volume | 1795.6 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.0853 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/4503903.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.