Information card for entry 2219833

Structure parameters

• Chemical name: Dicarbonyl(η^5^-cyclopentadienyl)bis(trimethylphosphine)molybdenum(II) trifluoromethanesulfonate
• Formula: C14 H23 F3 Mo O5 P2 S
• Calculated formula: C14 H23 F3 Mo O5 P2 S
• SMILES: [Mo]1234([P](C)(C)C)([P](C)(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Dicarbonyl(η^5^-cyclopentadienyl)bis(trimethylphosphine)molybdenum(II) trifluoromethanesulfonate
• Authors of publication: Jali, Samuel; Friedrich, Holger B.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1401
• a: 10.8919 ± 0.0005 Å
• b: 8.0864 ± 0.0003 Å
• c: 23.4132 ± 0.001 Å
• α: 90°
• β: 95.464 ± 0.001°
• γ: 90°
• Cell volume: 2052.78 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes