Information card for entry 2238385

Structure parameters

• Chemical name: <i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(furan-2-yl)phosphane-κ<i>P</i>]molybdenum(II)
• Formula: C21 H17 Mo O6 P
• Calculated formula: C21 H17 Mo O6 P
• SMILES: [Mo]1234([P](c5occc5)(c5occc5)c5occc5)(C(=O)C)(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: <i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(furan-2-yl)phosphane-κ<i>P</i>]molybdenum(II)
• Authors of publication: Whited, Matthew T.; Bakker-Arkema, Julia G.; Greenwald, Julia E.; Morrill, Lucas A.; Janzen, Daron E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m475 - m476
• a: 8.05 ± 0.002 Å
• b: 15.762 ± 0.004 Å
• c: 16.073 ± 0.004 Å
• α: 90°
• β: 102.852 ± 0.008°
• γ: 90°
• Cell volume: 1988.3 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes