Information card for entry 4119025

Structure parameters

• Formula: C36 H56 Fe2 N4 Si4
• Calculated formula: C36 H56 Fe2 N4 Si4
• SMILES: c1(ccccc1)N([Fe]12[N](c3ccccc3)([Si](C)(C)C)[Fe]2([N]1(c1ccccc1)[Si](C)(C)C)N(c1ccccc1)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Iron-Catalyzed Aromatic Amination for Nonsymmetrical Triarylamine Synthesis
• Authors of publication: Takuji Hatakeyama; Ryuji Imayoshi; Yuya Yoshimoto; Sujit K. Ghorai; Masayoshi Jin; Hikaru Takaya; Kazuhiro Norisuye; Yoshiki Sohrin; Masaharu Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 20262 - 20265
• a: 9.2783 ± 0.0016 Å
• b: 10.75 ± 0.002 Å
• c: 11.287 ± 0.002 Å
• α: 87.708 ± 0.008°
• β: 80.253 ± 0.006°
• γ: 70.918 ± 0.007°
• Cell volume: 1048.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.042
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No