Information card for entry 1515079

Structure parameters

• Formula: C42 H74 I2 Mn2 O2
• Calculated formula: C42 H74 I2 Mn2 O2
• Title of publication: Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis
• Authors of publication: Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2972
• a: 9.232 ± 0.0004 Å
• b: 9.9138 ± 0.0004 Å
• c: 13.3547 ± 0.0005 Å
• α: 105.125 ± 0.002°
• β: 102.783 ± 0.002°
• γ: 100.418 ± 0.002°
• Cell volume: 1113.14 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No