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Information card for entry 7027561
Preview
Coordinates | 7027561.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H21 Br N O7 Re |
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Calculated formula | C18 H21 Br N O7 Re |
SMILES | [Re]1(Br)([n]2c([C@H]3[O]1[C@H](C)[C@H](O3)C)cccc2C1O[C@H](C)[C@H](O1)C)(C#[O])(C#[O])C#[O] |
Title of publication | A detailed NMR study of the solution stereodynamics in tricarbonylrhenium(I) halide complexes of the non-racemic chiral ligand 2,6-bis[(4R,5R)-dimethyl-1,3-dioxan-2-yl]pyridine (L1) and the molecular structure of fac-[ReBr(CO)3(L1)] † |
Authors of publication | Heard, Peter J.; King, Paul M.; Bain, Alex. D.; Hazendonk, Paul; Tocher, Derek A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 24 |
Pages of publication | 4495 |
a | 9.231 ± 0.002 Å |
b | 11.296 ± 0.002 Å |
c | 10.975 ± 0.002 Å |
α | 90° |
β | 106.06 ± 0.03° |
γ | 90° |
Cell volume | 1099.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for all reflections | 0.1225 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Goodness-of-fit parameter for all reflections | 1.03 |
Goodness-of-fit parameter for significantly intense reflections | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027561.html
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