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Information card for entry 7039129
Preview
Coordinates | 7039129.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H19 Br N3 O3 Re |
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Calculated formula | C24 H19 Br N3 O3 Re |
SMILES | [Re]1(Br)([N](=C(C)c2[n]1c(ccc2)C(=N\c1ccccc1)\C)c1ccccc1)(C#[O])(C#[O])C#[O] |
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 | 8.291 ± 0.0002 Å |
b | 12.2983 ± 0.0003 Å |
c | 12.6178 ± 0.0003 Å |
α | 67.122 ± 0.001° |
β | 85.8827 ± 0.0011° |
γ | 79.6549 ± 0.0011° |
Cell volume | 1166.1 ± 0.05 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 | 0.0228 |
Residual factor for significantly intense reflections | 0.0213 |
Weighted residual factors for significantly intense reflections | 0.0543 |
Weighted residual factors for all reflections included in the refinement | 0.0554 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/7039129.html
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Users of the data should acknowledge the original authors of the
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