Information card for entry 1100869

Structure parameters

• Chemical name: fac-[(2-methoxycarbonylethynil)tricarbonyl(bis(diphenylphosphanyl)methane) manganese(I)]
• Formula: C64 H50 Mn2 O10 P4
• Calculated formula: C64 H50 Mn2 O10 P4
• Title of publication: Stepwise Formation of σ-Alkynyl, Vinylidene, and Vinylphosphonium Complexes of Manganese(I)
• Authors of publication: Ruiz, J.; Quesada, R.; Vivanco, M.; Castellano, E. E.; Piro, O. E.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2542 - 2545
• a: 9.5092 ± 0.0001 Å
• b: 17.3418 ± 0.0002 Å
• c: 18.1765 ± 0.0002 Å
• α: 69.709 ± 0.0005°
• β: 88.5567 ± 0.0005°
• γ: 89.6242 ± 0.0005°
• Cell volume: 2810.52 ± 0.05 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: 0.0394
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No