Information card for entry 4070812

Structure parameters

• Formula: C31 H40 B Cl2 F4 Mo2 O6 P Ru
• Calculated formula: C31 H40 B Cl2 F4 Mo2 O6 P Ru
• SMILES: [Mo]12345678([Mo]9%10%11%12%13([Ru]1([C]3OC)(C4%13OC)(C#[O])(C#[O])C#[O])([P]2(C1CCCCC1)C1CCCCC1)([cH]1[cH]9[cH]%11[cH]%10[cH]%121)C#[O])[cH]1[cH]7[cH]8[cH]5[cH]61.[B](F)(F)(F)[F-].ClCCl
• Title of publication: Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 3. Formation and Cleavage of C−C and C−O Bonds in the Reactions of the Complexes [Mo2Cp2(µ-COMe)(µ-COR)(µ-PCy2)]BF4(R = Me, Et)
• Authors of publication: García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 543
• a: 17.9342 ± 0.0009 Å
• b: 14.7605 ± 0.0005 Å
• c: 13.571 ± 0.0007 Å
• α: 90°
• β: 99.491 ± 0.002°
• γ: 90°
• Cell volume: 3543.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No