Information card for entry 7710698

Structure parameters

• Formula: C22 H15 Fe N O3
• Calculated formula: C22 H15 Fe N O3
• Title of publication: Iron(0) tricarbonyl η⁴-1-azadiene complexes and their catalytic performance in the hydroboration of ketones, aldehydes and aldimines <i>via</i> a non-iron hydride pathway.
• Authors of publication: Luo, Jiabin; Cui, Chuanguo; Xiao, Zhiyin; Zhong, Wei; Lu, Chunxin; Jiang, Xiujuan; Li, Xueming; Liu, Xiaoming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• a: 23.427 ± 0.002 Å
• b: 7.671 ± 0.0005 Å
• c: 21.6488 ± 0.0018 Å
• α: 90°
• β: 104.203 ± 0.009°
• γ: 90°
• Cell volume: 3771.6 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No