Information card for entry 7121897

Structure parameters

• Formula: C45 H87 Fe N5 Si5
• Calculated formula: C45 H87 Fe N5 Si5
• 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: 20.912 ± 0.004 Å
• b: 16.921 ± 0.003 Å
• c: 30.492 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10790 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No