Information card for entry 4073924

Structure parameters

• Formula: C31 H39 Mo2 O2 P
• Calculated formula: C31 H39 Mo2 O2 P
• SMILES: [CH2]1(c2ccccc2)[Mo]23456(C#[O])([cH]7[cH]2[cH]3[cH]4[cH]57)[P](C2CCCCC2)(C2CCCCC2)[Mo]234516(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Structure and Bonding in the Unsaturated Hydride- and Hydrocarbyl-Bridged Complexes [Mo2(η5-C5H5)2(μ-X)(μ-PCy2)(CO)2] (X = H, CH3, CH2Ph, Ph). Evidence for the Presence of α-Agostic and π-Bonding Interactions†
• Authors of publication: García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Marchio, Luciano
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6197
• a: 10.308 ± 0.005 Å
• b: 29.438 ± 0.01 Å
• c: 9.913 ± 0.004 Å
• α: 90°
• β: 108.74 ± 0.02°
• γ: 90°
• Cell volume: 2849 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No