Information card for entry 1508051

Structure parameters

• Common name: 6a-BArF
• Formula: C86 H59 B F24 Fe N2 P3 Si
• Calculated formula: C86 H59 B F24 Fe N2 P3 Si
• Title of publication: Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.
• Authors of publication: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 558 - 565
• a: 21.1566 ± 0.0004 Å
• b: 21.4783 ± 0.0004 Å
• c: 22.3299 ± 0.0007 Å
• α: 105.835 ± 0.001°
• β: 115.183 ± 0.001°
• γ: 104.537 ± 0.001°
• Cell volume: 8010.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No