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Information card for entry 4069716
Preview
Coordinates | 4069716.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H35 B Cl3 N8 O5 P W |
---|---|
Calculated formula | C26 H35 B Cl3 N8 O5 P W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@H]2[C@H]4[C@@H]([C@@](OC)([CH]3=1)C=C2OC)C(=O)N(C4=O)C.ClC(Cl)Cl.[W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@@H]2[C@@H]4[C@H]([C@](OC)([CH]3=1)C=C2OC)C(=O)N(C4=O)C.ClC(Cl)Cl |
Title of publication | Stereoelectronic Effects in Dihapto-Coordinated Complexes of TpW(NO)(PMe3) and Their Manifestation in Diels-Alder Cycloaddition of Arenes |
Authors of publication | Salomon, Rebecca J.; Lis, Jr., Edward C.; Kasbekar, Monica U.; Bassett, Kimberley C.; Myers, William H.; Trindle, Carl O.; Sabat, Michal; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 16 |
Pages of publication | 4724 - 4734 |
a | 15.9934 ± 0.0007 Å |
b | 8.5273 ± 0.0004 Å |
c | 25.472 ± 0.001 Å |
α | 90° |
β | 95.316 ± 0.001° |
γ | 90° |
Cell volume | 3458.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1004 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.776 |
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/4069716.html
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Users of the data should acknowledge the original authors of the
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