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Information card for entry 4070060
Preview
Coordinates | 4070060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H27 Cl0 O3 P W |
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Calculated formula | C35 H27 O3 P W |
SMILES | [W]12345([P](c6ccccc6)(C(=C(C1=O)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])[cH]1[c]2(C)[cH]3[cH]5[cH]41 |
Title of publication | Reactivity of [(2-Phosphino)ethenyl]zirconocene Chloride toward CpM(CO)3Cl (M = Mo, W): Formation of [(3-Phosphino)propenoyl]dicarbonyl(cyclopentadienyl)metal, {CpM(CO)2[(CO)CR═CRPPh2]} |
Authors of publication | Yan, Xiaoyu; Yu, Bingran; Wang, Lan; Tang, Ning; Xi, Chanjuan |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 23 |
Pages of publication | 6827 |
a | 12.653 ± 0.003 Å |
b | 13.805 ± 0.003 Å |
c | 31.852 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5564 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.348 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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