Information card for entry 4071008

Structure parameters

• Formula: C43 H49 Mo2 O2 P Si
• Calculated formula: C43 H49 Mo2 O2 P Si
• SMILES: [Mo]1234567([Mo]89%10%11([P]1(C1CCCCC1)C1CCCCC1)(=[C]=2c1c([Si](OC)(c2ccccc2)c2ccccc2)cccc1)([cH]1[cH]8[cH]9[cH]%11[cH]%101)C6=O)[cH]1[cH]3[cH]7[cH]5[cH]41
• Title of publication: Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]
• Authors of publication: García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 169
• a: 11.313 ± 0.003 Å
• b: 12.471 ± 0.003 Å
• c: 17.09 ± 0.004 Å
• α: 68.836 ± 0.004°
• β: 84.285 ± 0.004°
• γ: 81.815 ± 0.004°
• Cell volume: 2222.6 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No