Information card for entry 4067274

Structure parameters

• Formula: C133 H202 Mn2 N
• Calculated formula: C131.5 H198.5 Mn2 N
• Title of publication: Intramolecular C−H Activation by Putative Terminal Two-Coordinate Manganese(III) Imido Intermediates: Hydrogen Abstraction from a Phenyl Group
• Authors of publication: Ni, Chengbao; Fettinger, James C.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 269
• a: 20.9514 ± 0.0006 Å
• b: 14.3494 ± 0.0004 Å
• c: 41.6416 ± 0.0013 Å
• α: 90°
• β: 98.222 ± 0.001°
• γ: 90°
• Cell volume: 12390.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.1517
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2227
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No