Information card for entry 1518791

Structure parameters

• Formula: C35 H48 Mo2 N O2 P
• Calculated formula: C35 H48 Mo2 N O2 P
• SMILES: [Mo]12345(P(c6c(cc(cc6C(C)(C)C)C(C)(C)C)C(C)(C)C)[Mo]6789%10([cH]%11[cH]7[cH]%10[cH]9[cH]6%11)(C#[O])C2=[N]8C(C)(C)C)(C#[O])[cH]2[cH]3[cH]1[cH]4[cH]52
• 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: 10.395 ± 0.002 Å
• b: 15.24 ± 0.003 Å
• c: 21.15 ± 0.004 Å
• α: 90°
• β: 93.2 ± 0.03°
• γ: 90°
• Cell volume: 3345.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No