Information card for entry 4071006

Structure parameters

• Formula: C69 H86 Cl6 Mn2 Mo4 O10 P2
• Calculated formula: C69 H86 Cl6 Mn2 Mo4 O10 P2
• 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: 9.1962 ± 0.0017 Å
• b: 12.467 ± 0.002 Å
• c: 15.803 ± 0.003 Å
• α: 101.45 ± 0.003°
• β: 91.795 ± 0.003°
• γ: 90.698 ± 0.003°
• Cell volume: 1774.6 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No