Information card for entry 7103549

Structure parameters

• Formula: C162 H242 Fe2 N2
• Calculated formula: C144 H200 Fe2 N2
• Title of publication: Reaction of a sterically encumbered iron(I) aryl/arene with organoazides: formation of an iron(V) bis(imide).
• Authors of publication: Ni, Chengbao; Fettinger, James C; Long, Gary J; Brynda, Marcin; Power, Philip P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6045 - 6047
• a: 25.135 ± 0.002 Å
• b: 28.011 ± 0.003 Å
• c: 25.235 ± 0.002 Å
• α: 90°
• β: 118.871 ± 0.001°
• γ: 90°
• Cell volume: 15559 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No