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Information card for entry 4064573
Preview
Coordinates | 4064573.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 B F3 N7 O4 P S W |
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Calculated formula | C19 H28 B F3 N7 O4 P S W |
SMILES | [W]1234([P](C)(C)C)([n]5n(ccc5)[BH](n5[n]1ccc5)n1[n]2ccc1)(N=O)[CH]1=[CH]3C4CCC1.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Hyperdistorted Tungsten Allyl Complexes and Their Stereoselective Deprotonation to Form Dihapto-Coordinated Dienes |
Authors of publication | Harrison, Daniel P.; Nichols-Nielander, Adam C.; Zottig, Victor E.; Strausberg, Laura; Salomon, Rebecca J.; Trindle, Carl O.; Sabat, Michal; Gunnoe, T. Brent; Iovan, Diana A.; Myers, William H.; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 9 |
Pages of publication | 2587 |
a | 10.0746 ± 0.0002 Å |
b | 10.102 ± 0.0002 Å |
c | 12.6597 ± 0.0002 Å |
α | 92.74° |
β | 91.44° |
γ | 95.99° |
Cell volume | 1279.34 ± 0.04 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0199 |
Residual factor for significantly intense reflections | 0.0187 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.554 |
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/4064573.html
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Users of the data should acknowledge the original authors of the
structural data.