Information card for entry 4118644

Structure parameters

• Formula: C67 H75 B Mn N8 O
• Calculated formula: C66.998 H74.985 B Mn N8 O0.998
• Title of publication: Manganese Nitride Complexes in Oxidation States III, IV, and V: Synthesis and Electronic Structure
• Authors of publication: Henning Kropp; Amanda E. King; Marat M. Khusniyarov; Frank W. Heinemann; Kyle M. Lancaster; Serena DeBeer; Eckhard Bill; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15538 - 15544
• a: 12.513 ± 0.003 Å
• b: 12.686 ± 0.003 Å
• c: 21.618 ± 0.005 Å
• α: 77.915 ± 0.004°
• β: 85.171 ± 0.004°
• γ: 60.516 ± 0.004°
• Cell volume: 2920.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No