Information card for entry 2240026

Structure parameters

• Formula: C23 H23 Mo O3 P
• Calculated formula: C23 H23 Mo O3 P
• SMILES: [Mo]1234([P](CC)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])(C(=O)C)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Crystal structures of <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II)
• Authors of publication: Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 216 - 220
• a: 8.2451 ± 0.0008 Å
• b: 11.6132 ± 0.0011 Å
• c: 12.5265 ± 0.0012 Å
• α: 63.617 ± 0.004°
• β: 77.167 ± 0.005°
• γ: 84.671 ± 0.006°
• Cell volume: 1047.65 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0327
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes