Information card for entry 2243897

Structure parameters

• Common name: CpMo(CO)2(P(4-MeOPh)3)(COEt)
• Chemical name: Dicarbonyl(η^5^-cyclopentadienyl)propionyl[tris(4-methoxyphenyl)phosphane-κ<i>P</i>]molybdenum(II) dichloromethane solvate
• Formula: C32 H33 Cl2 Mo O6 P
• Calculated formula: C32 H33 Cl2 Mo O6 P
• Title of publication: Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes
• Authors of publication: Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 10.5308 ± 0.0006 Å
• b: 12.1305 ± 0.0007 Å
• c: 13.6154 ± 0.0008 Å
• α: 97.66 ± 0.002°
• β: 104.759 ± 0.002°
• γ: 107.081 ± 0.002°
• Cell volume: 1566.43 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes