Information card for entry 7105791

Structure parameters

• Common name: BrMn(CO)2(CNArMes2)3
• Formula: C79 H80 Br Mn N3 O2.5
• Calculated formula: C79 H80 Br Mn N3 O2.5
• Title of publication: Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides
• Authors of publication: Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 406
• a: 17.8362 ± 0.0009 Å
• b: 15.744 ± 0.0008 Å
• c: 24.2053 ± 0.0011 Å
• α: 90°
• β: 103.907 ± 0.003°
• γ: 90°
• Cell volume: 6597.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No