Information card for entry 4086820

Structure parameters

• Common name: (k2-F3CSO3BH3)-Mn(CO)2(CNArDipp2)2
• Formula: C65 H77 B F3 Mn N2 O5 S
• Calculated formula: C65 H77 B F3 Mn N2 O5 S
• Title of publication: Controlled cis Labilization of CO from Manganese(I) Mixed Carbonyl/Isocyanide Complexes: An Entry Point to Coordinatively Unsaturated Metallo-Lewis Acids
• Authors of publication: Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 363
• a: 13.1452 ± 0.0007 Å
• b: 15.6184 ± 0.0009 Å
• c: 15.2093 ± 0.0007 Å
• α: 90°
• β: 93.025 ± 0.002°
• γ: 90°
• Cell volume: 3118.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No