Information card for entry 7029618

Structure parameters

• Formula: C34 H42 Mo2 N O3 P
• Calculated formula: C34 H42 Mo2 N O3 P
• SMILES: [Mo]12345([H][Mo]6789([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])[cH]1[c]6([cH]9[cH]8[cH]71)C)(C#[O])(C#[N]c1ccccc1C)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Insertion, coupling and elimination processes in the reactions of the unsaturated alkyl-bridged complexes [Mo2(η(5)-C5H5)2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph) with isocyanides and secondary phosphines.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Martínez, M Eugenia; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7780 - 7794
• a: 9.7328 ± 0.0006 Å
• b: 11.031 ± 0.0006 Å
• c: 32.6832 ± 0.0019 Å
• α: 90°
• β: 94.841 ± 0.002°
• γ: 90°
• Cell volume: 3496.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0714
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No