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Information card for entry 4065357
Preview
Coordinates | 4065357.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H35 N O W |
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Calculated formula | C28 H35 N O W |
SMILES | C(c1cc(cc(c1)C)C)[W]123456(C[CH]1=[CH]2c1ccccc1)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)N=O |
Title of publication | Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W) |
Authors of publication | Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 22 |
Pages of publication | 6201 |
a | 8.5682 ± 0.0003 Å |
b | 13.0558 ± 0.0004 Å |
c | 22.2189 ± 0.0006 Å |
α | 90° |
β | 97.668 ± 0.001° |
γ | 90° |
Cell volume | 2463.28 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0278 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.0496 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4065357.html
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