Information card for entry 2236689

Structure parameters

• Chemical name: <i>trans</i>-Acetyldicarbonyl(η^5^- cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)
• Formula: C22 H21 Mo O3 P
• Calculated formula: C22 H21 Mo O3 P
• SMILES: [Mo]1234([P](C)(c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]2[cH]3[cH]45)(C(=O)C)(C#[O])C#[O]
• Title of publication: <i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)
• Authors of publication: Whited, Matthew T.; Boerma, Joseph W.; McClellan, Michael J.; Padilla, Christian E.; Janzen, Daron E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1158 - m1159
• a: 11.482 ± 0.007 Å
• b: 17.648 ± 0.01 Å
• c: 20.771 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4209 ± 4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes