Information card for entry 2224226

Structure parameters

• Chemical name: Tetracarbonylbis(η^5^-cyclopentadienyl)bis[(dec-9-en-1- yl)diphenylphosphine]dimolybdenum(0)(<i>Mo</i>—<i>Mo</i>) tetrahydrofuran disolvate
• Formula: C66 H84 Mo2 O6 P2
• Calculated formula: C66 H84 Mo2 O6 P2
• SMILES: [Mo]1234([P](c5ccccc5)(c5ccccc5)CCCCCCCCC=C)([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O].O1CCCC1
• Title of publication: Tetracarbonylbis(η^5^-cyclopentadienyl)bis[(dec-9-en-1-yl)diphenylphosphine]dimolybdenum(0)(<i>Mo</i>—<i>Mo</i>) tetrahydrofuran disolvate
• Authors of publication: Shultz, Ginger; Zakharov, Lev N.; Tyler, David R
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1545
• a: 11.2755 ± 0.0004 Å
• b: 15.566 ± 0.0005 Å
• c: 18.8566 ± 0.0006 Å
• α: 109.166 ± 0.001°
• β: 98.008 ± 0.001°
• γ: 101.323 ± 0.001°
• Cell volume: 2990.2 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes