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Information card for entry 7032633
Preview
Coordinates | 7032633.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H43 Mo O3 P S Si |
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Calculated formula | C28 H43 Mo O3 P S Si |
SMILES | [Mo]12345([P](S1)(O[Si](C)(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 | 14.947 ± 0.0003 Å |
b | 10.0787 ± 0.0002 Å |
c | 21.208 ± 0.0004 Å |
α | 90° |
β | 106.436 ± 0.001° |
γ | 90° |
Cell volume | 3064.35 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0616 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1575 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7032633.html
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