Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063746
Preview
Coordinates | 4063746.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H42 N8 O2 Te2 |
---|---|
Calculated formula | C54 H42 N8 O2 Te2 |
SMILES | [Te]1(c2ccccc2/N=N/c2ccccc2)(c2ccccc2/N=N/c2ccccc2)O[Te](O1)(c1ccccc1/N=N/c1ccccc1)c1ccccc1/N=N/c1ccccc1.c1ccccc1 |
Title of publication | Isolation and Structural Characterization of Some Aryltellurium Halides and Their Hydrolyzed Products Stabilized by an Intramolecular Te···N Interaction |
Authors of publication | Srivastava, Kriti; Shah, Poonam; Singh, Harkesh B.; Butcher, Ray J. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 3 |
Pages of publication | 534 |
a | 10.7072 ± 0.0011 Å |
b | 11.0754 ± 0.0012 Å |
c | 11.2912 ± 0.0009 Å |
α | 74.141 ± 0.008° |
β | 71.057 ± 0.008° |
γ | 68.848 ± 0.01° |
Cell volume | 1162.5 ± 0.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.1497 |
Residual factor for significantly intense reflections | 0.0945 |
Weighted residual factors for significantly intense reflections | 0.2095 |
Weighted residual factors for all reflections included in the refinement | 0.2331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/4063746.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.