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Information card for entry 4071809
Preview
Coordinates | 4071809.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H42 B F24 Mo O3 P |
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Calculated formula | C64 H40 B F24 Mo O3 P |
SMILES | [Mo]1234(C#[O])([OH2])(C#[O])([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.[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.Cc1ccccc1 |
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 | 13.792 ± 0.004 Å |
b | 15.032 ± 0.006 Å |
c | 16.414 ± 0.007 Å |
α | 69.08 ± 0.02° |
β | 72.55 ± 0.01° |
γ | 82.62 ± 0.02° |
Cell volume | 3031 ± 2 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0863 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections | 0.2409 |
Weighted residual factors for significantly intense reflections | 0.2088 |
Goodness-of-fit parameter for all reflections | 1.112 |
Goodness-of-fit parameter for significantly intense reflections | 1.174 |
Diffraction radiation wavelength | 1.008 Å |
Diffraction radiation type | synchrotron |
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/4071809.html
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Users of the data should acknowledge the original authors of the
structural data.