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Information card for entry 4071808
Preview
Coordinates | 4071808.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H35 B F24 I Mo O2 P |
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Calculated formula | C58 H32 B F24 I Mo O2 P |
SMILES | [Mo]1234([I]C)(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Four-Electron-Donor Hemilabile η3-PPh3Ligand that Binds through a CC Bond Rather than an Agostic C−H Interaction, and Displacement of the CC by Methyl Iodide or Water |
Authors of publication | Cheng, Tan-Yun; Szalda, David J.; Hanson, Jonathan C.; Muckerman, James T.; Bullock, R. Morris |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 15 |
Pages of publication | 3785 |
a | 12.421 ± 0.002 Å |
b | 13.151 ± 0.002 Å |
c | 18.319 ± 0.005 Å |
α | 96.53 ± 0.02° |
β | 96.34 ± 0.02° |
γ | 90.11 ± 0.02° |
Cell volume | 2954.5 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2345 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for all reflections | 0.1981 |
Weighted residual factors for significantly intense reflections | 0.1377 |
Goodness-of-fit parameter for all reflections | 0.999 |
Goodness-of-fit parameter for significantly intense reflections | 1.181 |
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/4071808.html
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Users of the data should acknowledge the original authors of the
structural data.