Information card for entry 7042715

Structure parameters

• Common name: Mn(THF)(ALCl2)(CO)3(CNArDipp2)2
• Formula: C69 H82 Al Cl2 Mn N2 O4
• Calculated formula: C69 H82 Al Cl2 Mn N2 O4
• 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: 13.6958 ± 0.0005 Å
• b: 26.0232 ± 0.0009 Å
• c: 18.4253 ± 0.0006 Å
• α: 90°
• β: 95.8827 ± 0.0017°
• γ: 90°
• Cell volume: 6532.4 ± 0.4 ų
• Cell temperature: 100 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No