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Information card for entry 4081030
Preview
Coordinates | 4081030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 Br Cl3 N5 O3 Re |
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Calculated formula | C14 H14 Br Cl3 N5 O3 Re |
SMILES | [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2nn(nc2c2[n]1cccc2)C(C)(C)C.C(Cl)(Cl)Cl |
Title of publication | Ligand-Induced Structural, Photophysical, and Electrochemical Variations in Tricarbonyl Rhenium(I) Tetrazolato Complexes |
Authors of publication | Wright, Phillip J.; Affleck, Mark G.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3728 |
a | 8.656 ± 0.0002 Å |
b | 18.1418 ± 0.0002 Å |
c | 13.205 ± 0.0004 Å |
α | 90° |
β | 92.829 ± 0.003° |
γ | 90° |
Cell volume | 2071.13 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0388 |
Weighted residual factors for all reflections included in the refinement | 0.0403 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
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/4081030.html
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Users of the data should acknowledge the original authors of the
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