Information card for entry 2239011

Structure parameters

• Common name: trans-Mo(CO)4(PPh3)2
• Chemical name: <i>trans</i>-Tetracarbonylbis(triphenylphosphane-κ<i>P</i>)molybdenum(0)
• Formula: C40 H30 Mo O4 P2
• Calculated formula: C40 H30 Mo O4 P2
• SMILES: C(#[O])[Mo](C#[O])(C#[O])(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>trans</i>-Tetracarbonylbis(triphenylphosphane-κ<i>P</i>)molybdenum(0)
• Authors of publication: Waldhart, Greyson W.; Mankad, Neal P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m36
• a: 9.3443 ± 0.0013 Å
• b: 10.2267 ± 0.0015 Å
• c: 10.7258 ± 0.0016 Å
• α: 64.794 ± 0.004°
• β: 69.417 ± 0.004°
• γ: 83.699 ± 0.004°
• Cell volume: 867.2 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes