Information card for entry 7042718

Structure parameters

• Common name: Mn(FHF)(CO)3(CNArDipp2)
• Formula: C67 H79.57 F2 Mn N2 O3.47
• Calculated formula: C67 H79.568 F2 Mn N2 O3.466
• Title of publication: Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds
• Authors of publication: Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.1678 ± 0.0005 Å
• b: 16.5149 ± 0.0004 Å
• c: 20.6165 ± 0.0005 Å
• α: 90°
• β: 114.102 ± 0.001°
• γ: 90°
• Cell volume: 5957.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No