Information card for entry 7029616

Structure parameters

• Formula: C44 H64 Mo4 O4 P2
• Calculated formula: C44 H64 Mo4 O4 P2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]1672345O[Mo]23457([cH]7[cH]2[cH]3[cH]4[cH]57)([P]6(C2CCCCC2)C2CCCCC2)O[Mo]234567([cH]8[cH]2[cH]3[cH]4[cH]58)O[Mo]23457(O1)([cH]1[cH]2[cH]3[cH]4[cH]51)[P]6(C1CCCCC1)C1CCCCC1
• 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: 10.2152 ± 0.0002 Å
• b: 9.981 ± 0.0002 Å
• c: 20.4373 ± 0.0005 Å
• α: 90°
• β: 91.603 ± 0.001°
• γ: 90°
• Cell volume: 2082.93 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.418
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No