Information card for entry 4331977

Structure parameters

• Formula: C46 H35 Fe N5 O4
• Calculated formula: C46 H35 Fe N5 O4
• Title of publication: Substituent Effects on Nitrosyl Iron Corrole Complexes Fe(Ar3C)(NO)
• Authors of publication: Joseph, Crisjoe A.; Lee, Matthew S.; Iretskii, Alexei V.; Wu, Guang; Ford, Peter C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2075 - 2082
• a: 10.547 ± 0.004 Å
• b: 11.047 ± 0.005 Å
• c: 15.916 ± 0.007 Å
• α: 101.196 ± 0.007°
• β: 92.972 ± 0.007°
• γ: 90.164 ± 0.007°
• Cell volume: 1816.5 ± 1.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1484
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No