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Information card for entry 7032632
Preview
Coordinates | 7032632.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H37 Mo O4 P S |
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Calculated formula | C28 H37 Mo O4 P S |
SMILES | [Mo]12345([P](S1)(OC(=O)C=C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Nucleophilic behaviour of dioxo- and thiooxophosphorane complexes [MoCp(CO)2{E,P-EP(O)(2,4,6-C6H2(t)Bu3)}](-) (E = O, S). |
Authors of publication | Alonso, María; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 42 |
Pages of publication | 16074 - 16083 |
a | 10.891 ± 0.002 Å |
b | 10.945 ± 0.002 Å |
c | 13.589 ± 0.003 Å |
α | 90.011 ± 0.003° |
β | 100.921 ± 0.003° |
γ | 114.499 ± 0.003° |
Cell volume | 1441.7 ± 0.5 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0267 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation probe | x-ray |
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/7032632.html
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Users of the data should acknowledge the original authors of the
structural data.