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Information card for entry 7015184
Preview
Coordinates | 7015184.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H9 Br N2 Se |
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Calculated formula | C12 H9 Br N2 Se |
SMILES | [Se]1(Br)[N](=Nc2c1cccc2)c1ccccc1 |
Title of publication | Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence. |
Authors of publication | Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B.; Butcher, Ray J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 4489 - 4496 |
a | 5.004 ± 0.0003 Å |
b | 15.4165 ± 0.0008 Å |
c | 15.0856 ± 0.0005 Å |
α | 90° |
β | 90.843 ± 0.003° |
γ | 90° |
Cell volume | 1163.64 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0526 |
Weighted residual factors for all reflections included in the refinement | 0.0571 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.84 |
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/7015184.html
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