Information card for entry 4105765

Structure parameters

• Formula: C62 H111 Fe3 N8 O Si3
• Calculated formula: C62 H111 Fe3 N8 O Si3
• Title of publication: Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-
• Authors of publication: Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3336 - 3338
• a: 26.559 ± 0.003 Å
• b: 11.6673 ± 0.0011 Å
• c: 23.123 ± 0.002 Å
• α: 90°
• β: 108.849 ± 0.002°
• γ: 90°
• Cell volume: 6780.9 ± 1.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No