Information card for entry 4086818

Structure parameters

• Formula: C104 H106 B F24 Mn N2 O4
• Calculated formula: C104 H106 B F24 Mn N2 O4
• 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: 25.384 ± 0.003 Å
• b: 16.256 ± 0.002 Å
• c: 49.409 ± 0.006 Å
• α: 90°
• β: 101.988 ± 0.006°
• γ: 90°
• Cell volume: 19944 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1591
• Residual factor for significantly intense reflections: 0.1376
• Weighted residual factors for significantly intense reflections: 0.3216
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No