Information card for entry 1100870

Structure parameters

• Chemical name: fac-[tricarbonyl(2-methoxycarbonylvinyliden(diphenylphosphanylmethyl)diphenylphosphorane)maganese(I)] tetrafluoroborate
• Formula: C32 H26 B F4 Mn O5 P2
• Calculated formula: C32 H26 B F4 Mn O5 P2
• 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: 10.2407 ± 0.0002 Å
• b: 16.6566 ± 0.0004 Å
• c: 18.3683 ± 0.0004 Å
• α: 90°
• β: 95.65 ± 0.001°
• γ: 90°
• Cell volume: 3118 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No