Information card for entry 1518793

Structure parameters

• Formula: C42 H61 Mo2 O2 P3
• Calculated formula: C42 H61 Mo2 O2 P3
• SMILES: [Mo]12345(P([Mo]6789([P](C[P]1(C)C)(C)C)(C#[O])[cH]1[cH]6[cH]7[cH]8[cH]91)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51.Cc1ccccc1
• Title of publication: Activity of Mo-Mo and Mo-P multiple bonds at the phosphinidene complex [Mo2Cp2{mu-P(2,4,6-C6H2tBu3)}(mu-CO)2] in reactions with isocyanides and phosphine ligands
• Authors of publication: M. Angeles Alvareza; Inmaculada Amora; M. Esther Garciaa; Daniel Garcia-Vivoa; Miguel A. Ruiza; David Saeza; Hayrullo Hamidovb; John C. Jefferyb
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 103 - 115
• a: 9.053 ± 0.003 Å
• b: 24.543 ± 0.009 Å
• c: 18.662 ± 0.007 Å
• α: 90°
• β: 92.635 ± 0.006°
• γ: 90°
• Cell volume: 4142 ± 3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No