Information card for entry 1518794

Structure parameters

• Formula: C35 H53 Mo2 O2 P3
• Calculated formula: C35 H53 Mo2 O2 P3
• SMILES: [Mo]12345(P(c6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)[Mo]6789(C#[O])(C#[O])[cH]%10[cH]6[cH]7[cH]9[cH]8%10)([P](C[P]2(C)C)(C)C)[cH]2[cH]4[cH]5[cH]1[cH]32
• 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: 20.941 ± 0.006 Å
• b: 11.484 ± 0.003 Å
• c: 15.253 ± 0.004 Å
• α: 90°
• β: 98.568 ± 0.007°
• γ: 90°
• Cell volume: 3627.2 ± 1.7 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No