Information card for entry 7029617

Structure parameters

• Formula: C35 H50 Mo2 O2 P2
• Calculated formula: C35 H50 Mo2 O2 P2
• SMILES: [Mo]123456([Mo]789%10%11([P]1(C1CCCCC1)C1CCCCC1)([P]2(CC)CC)(OC7Cc1ccccc1)[cH]1[cH]%11[cH]%10[cH]9[cH]81)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 9.8356 ± 0.0002 Å
• b: 10.4133 ± 0.0002 Å
• c: 16.4722 ± 0.0004 Å
• α: 85.822 ± 0.001°
• β: 84.712 ± 0.001°
• γ: 86.141 ± 0.002°
• Cell volume: 1672.33 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No