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Information card for entry 7708544
Preview
Coordinates | 7708544.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H10 Cl N4 O3 Re |
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Calculated formula | C16 H10 Cl N4 O3 Re |
SMILES | [Re]1(Cl)([n]2ccccc2c2[n]1ncn2c1ccccc1)(C#[O])(C#[O])C#[O] |
Title of publication | Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties. |
Authors of publication | Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
a | 10.8275 ± 0.0013 Å |
b | 12.8483 ± 0.0016 Å |
c | 13.1018 ± 0.0018 Å |
α | 89.948 ± 0.004° |
β | 76.46 ± 0.004° |
γ | 73.825 ± 0.004° |
Cell volume | 1697.8 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0888 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/7708544.html
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Users of the data should acknowledge the original authors of the
structural data.