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Information card for entry 4087038
Preview
Coordinates | 4087038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 K N2 O11 Re |
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Calculated formula | C29 H36 K N2 O11 Re |
SMILES | [Re]12([O]3[K]45678([O]=C3C(N2c2ccc(cc2)C)c2[n]1cccc2)[O]1CC[O]8CC[O]7CC[O]4CC[O]5CC[O]6CC1)(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 | 9.0036 ± 0.0002 Å |
b | 15.8691 ± 0.0004 Å |
c | 22.8729 ± 0.0006 Å |
α | 90° |
β | 94.665 ± 0.001° |
γ | 90° |
Cell volume | 3257.23 ± 0.14 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087038.html
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Users of the data should acknowledge the original authors of the
structural data.