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Information card for entry 4087233
Preview
Coordinates | 4087233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H49 Mo2 O3 P |
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Calculated formula | C37 H49 Mo2 O3 P |
SMILES | [Mo]123456([P]7(c8c(cc(cc8C(C)(C)C)C(C)(C)C)C(C7)(C)C)[Mo]789%10%11([C](C=[O]1)(=[CH]28)C(C)(C)C)(C#[O])[cH]1[cH]7[cH]%11[cH]%10[cH]91)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]31 |
Title of publication | Divergent Reactivity of a Phosphinidene-Bridged Dimolybdenum Complex Toward 1-Alkynes: P–C, P–H, C–C, and C–H Couplings |
Authors of publication | García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Sáez, David |
Journal of publication | Organometallics |
Year of publication | 2017 |
a | 15.848 ± 0.003 Å |
b | 11.293 ± 0.002 Å |
c | 19.294 ± 0.004 Å |
α | 90° |
β | 102.01 ± 0.03° |
γ | 90° |
Cell volume | 3377.5 ± 1.2 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0507 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.0595 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71074 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/4087233.html
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Users of the data should acknowledge the original authors of the
structural data.