Information card for entry 4107124

Structure parameters

• Formula: C47 H82 B Fe N2 O P3 Si3
• Calculated formula: C47 H82 B Fe N2 O P3 Si3
• Title of publication: N2 Functionalization at Iron Metallaboratranes
• Authors of publication: Marc-Etienne Moret; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18118 - 18121
• a: 12.0358 ± 0.0004 Å
• b: 12.2087 ± 0.0005 Å
• c: 19.5934 ± 0.0007 Å
• α: 107.196 ± 0.002°
• β: 91.58 ± 0.002°
• γ: 101.338 ± 0.002°
• Cell volume: 2685.4 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No