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Information card for entry 4108487
Preview
Coordinates | 4108487.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H42 B Cl4 F24 N6 O3 Re |
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Calculated formula | C57 H42 B Cl4 F24 N6 O3 Re |
SMILES | [Re]1([n]2c(n(cc2)C)C=[N]1C=CNc1c(cc(cc1C)C)C)([n]1ccn(c1)C)(C#[O])(C#[O])C#[O].ClCCl.ClCCl.FC(F)(F)c1cc(cc(c1)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F |
Title of publication | From N-Alkylimidazole Ligands at a Rhenium Center: Ring Opening or Formation of NHC Complexes |
Authors of publication | Miguel A. Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13530 - 13531 |
a | 11.9986 ± 0.0002 Å |
b | 14.6415 ± 0.0002 Å |
c | 21.3109 ± 0.00029 Å |
α | 72.274 ± 0.0009° |
β | 89.6955 ± 0.0009° |
γ | 66.9111 ± 0.0009° |
Cell volume | 3252.52 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
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/4108487.html
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Users of the data should acknowledge the original authors of the
structural data.