Information card for entry 4070060

Structure parameters

• Formula: C35 H27 Cl0 O3 P W
• 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 ų
• 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