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Information card for entry 4087037
Preview
Coordinates | 4087037.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Re(ampy)(CO)3Br] |
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Chemical name | [Re(ampy)(CO)3Br] |
Formula | C16 H14 Br N2 O3 Re |
Calculated formula | C16 H14 Br N2 O3 Re |
SMILES | [Re]1(Br)([NH](c2ccc(cc2)C)Cc2[n]1cccc2)(C#[O])(C#[O])C#[O] |
Title of publication | Rhenium(I) Triscarbonyl Complexes with Redox-Active Amino- and Iminopyridine Ligands: Metal‒Ligand Cooperation as Trigger for the Reversible Binding of CO2 via a Dearmomatization/Rearomatization Reaction Sequence |
Authors of publication | Stichauer, Rasmus; Helmers, Arne; Bremer, Jennifer; Rohdenburg, Markus; Wark, André; Lork, Enno; Vogt, Matthias |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 4 |
Pages of publication | 839 |
a | 18.099 ± 0.005 Å |
b | 12.674 ± 0.005 Å |
c | 7.424 ± 0.005 Å |
α | 90 ± 0.005° |
β | 101.784 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1667.1 ± 1.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.0807 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation probe | x-ray |
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/4087037.html
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