Information card for entry 4070059

Structure parameters

• Formula: C34 H25 Mo O3 P
• Calculated formula: C34 H25 Mo O3 P
• SMILES: [Mo]12345([P](C(=C(c6ccccc6)C2=O)c2ccccc2)(c2ccccc2)c2ccccc2)([cH]2[cH]4[cH]3[cH]5[cH]12)(C#[O])C#[O]
• 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: 12.718 ± 0.003 Å
• b: 13.779 ± 0.003 Å
• c: 31.857 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5583 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No