Information card for entry 4102167

Structure parameters

• Formula: C53.5 H87 Fe N3 P3 Si
• Calculated formula: C53.4 H86.85 Fe N2.97 P3 Si
• Title of publication: Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates
• Authors of publication: Neal P. Mankad; Peter Müller; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4083 - 4085
• a: 15.0449 ± 0.0008 Å
• b: 15.0449 ± 0.0008 Å
• c: 81.101 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15897.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No