Information card for entry 7121895

Structure parameters

• Formula: C40 H59 Br2 Fe N3 Si
• Calculated formula: C40 H59 Br2 Fe N3 Si
• Title of publication: An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.
• Authors of publication: Bai, Yunping; Zhang, Jianying; Cui, Chunming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 58
• Pages of publication: 8124 - 8127
• a: 12.408 ± 0.004 Å
• b: 19.199 ± 0.005 Å
• c: 17.68 ± 0.006 Å
• α: 90°
• β: 97.503 ± 0.006°
• γ: 90°
• Cell volume: 4176 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 386.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3038
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No