Information card for entry 4070250

Structure parameters

• Formula: C33 H39 Mo2 O4 P
• Calculated formula: C33 H39 Mo2 O4 P
• SMILES: [Mo]12345([H][Mo]6789([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])[cH]1[cH]7[cH]8[cH]9[c]61Cc1ccccc1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Migration and Insertion Processes in the Reactions of the Hydrocarbyl-Bridged Unsaturated Complexes [Mo2(η5-C5H5)2(μ-R)(μ-PCy2)(CO)2] (R = Me, CH2Ph, Ph) with CO and NO
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6293
• a: 13.403 ± 0.002 Å
• b: 15.504 ± 0.003 Å
• c: 15.517 ± 0.003 Å
• α: 84.337 ± 0.003°
• β: 72.189 ± 0.003°
• γ: 83.307 ± 0.003°
• Cell volume: 3042.2 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0898
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No