Information card for entry 2009269

Structure parameters

• Formula: C17 H16 Mo O2
• Calculated formula: C17 H16 Mo O2
• SMILES: C1([CH](=[CH]2C)[Mo]12(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)[cH]23)c1ccccc1
• Title of publication: Absolute configuration of <i>exo</i>-<i>syn</i>-<i>syn</i>-dicarbonyl(η^5^-cyclopentadienyl)[(1,2,3-η)-(1<i>R</i>,2<i>S</i>,3<i>S</i>)-1-phenylbut-2-en-1-yl]molybdenum(II)
• Authors of publication: Alexander Kuhl; Farrugia, Louis J.; Philip J. Kocieński
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2041 - 2043
• a: 8.542 ± 0.0005 Å
• b: 11.8734 ± 0.0007 Å
• c: 15.0938 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1530.85 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes