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Information card for entry 4067411
Preview
Coordinates | 4067411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H23 Cl3 D O10 P W |
---|---|
Calculated formula | C22 H23 Cl3 D O10 P W |
SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@]1([C@H]([C@]2([C@@]3([C@]2(C(=C([C@]13C)C)C)C)C)C(=O)OC)C(=O)OC)O.C([2H])(Cl)(Cl)Cl.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1([C@@H]([C@@]2([C@]3([C@@]2(C(=C([C@@]13C)C)C)C)C)C(=O)OC)C(=O)OC)O.C([2H])(Cl)(Cl)Cl |
Title of publication | Partial Ring-Opening and Rearrangement Reactions of P,C-Cages to Yield Unusual Phosphinous Acids Stabilized by Pentacarbonyltungsten |
Authors of publication | Bode, Maren; Schnakenburg, Gregor; Daniels, Jörg; Marinetti, Angela; Streubel, Rainer |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 3 |
Pages of publication | 656 |
a | 12.0292 ± 0.0004 Å |
b | 18.2659 ± 0.0006 Å |
c | 12.725 ± 0.0003 Å |
α | 90° |
β | 98.664 ± 0.002° |
γ | 90° |
Cell volume | 2764.08 ± 0.15 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0242 |
Residual factor for significantly intense reflections | 0.0194 |
Weighted residual factors for significantly intense reflections | 0.0419 |
Weighted residual factors for all reflections included in the refinement | 0.0429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/4067411.html
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Users of the data should acknowledge the original authors of the
structural data.