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Information card for entry 2242983
Preview
Coordinates | 2242983.cif |
---|---|
Structure factors | 2242983.hkl |
Original paper (by DOI) | HTML |
Chemical name | Bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-κ<i>P</i>](piperidine-κ<i>N</i>)rhenium(I) |
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Formula | C25 H25 Br N2 O3 P Re |
Calculated formula | C25 H25 Br N2 O3 P Re |
SMILES | [Re](Br)([P](c1ncccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])[NH]1CCCCC1 |
Title of publication | Crystal structures and Hirshfeld surface analysis of [κ^2^-<i>P</i>,<i>N</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}Re(CO)~3~Br]·2CHCl~3~ and the product of its reaction with piperidine, [<i>P</i>-{(C~6~H~5~)~2~(C~5~H~5~N)P}(C~5~H~11~N)Re(CO)~3~Br] |
Authors of publication | Palominos, Franco; Muñoz, Carolina; Oyarzun, Poldie; Saldías, Marianela; Vega, Andrés |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 7 |
Pages of publication | 1005 - 1010 |
a | 9.1384 ± 0.0017 Å |
b | 9.8348 ± 0.0018 Å |
c | 15.671 ± 0.003 Å |
α | 82.956 ± 0.002° |
β | 82.047 ± 0.002° |
γ | 69.765 ± 0.002° |
Cell volume | 1304.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0793 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242983.html
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Users of the data should acknowledge the original authors of the
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