Information card for entry 1553024

Structure parameters

• Formula: C76 H84 B F24 Fe N2 O
• Calculated formula: C76 H84 B F24 Fe N2 O
• Title of publication: Two- and three-coordinate formal iron(i) compounds featuring monodentate aminocarbene ligands
• Authors of publication: Mo, Zhenbo; Ouyang, Zhenwu; Wang, Lei; Fillman, Kathlyn L.; Neidig, Michael L.; Deng, Liang
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1040
• a: 12.8079 ± 0.0012 Å
• b: 13.0473 ± 0.0012 Å
• c: 25.151 ± 0.002 Å
• α: 93.467 ± 0.002°
• β: 102.677 ± 0.002°
• γ: 109.051 ± 0.002°
• Cell volume: 3835.9 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No