Information card for entry 7121896

Structure parameters

• Formula: C66 H102 Fe N6 Si2
• Calculated formula: C66 H102 Fe N6 Si2
• 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: 10.351 ± 0.003 Å
• b: 12.058 ± 0.003 Å
• c: 26.098 ± 0.006 Å
• α: 86.591 ± 0.012°
• β: 82.254 ± 0.01°
• γ: 87.814 ± 0.012°
• Cell volume: 3220.4 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 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: 0.1263
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2678
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No