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Information card for entry 7039133
Preview
Coordinates | 7039133.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H12 Cl4 N3 O3 Re |
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Calculated formula | C19 H12 Cl4 N3 O3 Re |
SMILES | [Re]1(Cl)([n]2ccccc2c2[n]1c(ccc2)c1ncccc1)(C#[O])(C#[O])C#[O].C(Cl)(Cl)Cl |
Title of publication | Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light. |
Authors of publication | Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 21 |
Pages of publication | 8885 - 8896 |
a | 9.8736 ± 0.0004 Å |
b | 14.8202 ± 0.0004 Å |
c | 16.3472 ± 0.0004 Å |
α | 69.289 ± 0.001° |
β | 80.801 ± 0.002° |
γ | 79.836 ± 0.002° |
Cell volume | 2189.99 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0613 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7039133.html
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Users of the data should acknowledge the original authors of the
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