Information card for entry 7044254

Structure parameters

• Formula: C46 H72 B10 Br2 N4 Ni Si2
• Calculated formula: C46 H72 B10 Br2 N4 Ni Si2
• SMILES: Br[Ni]1([Si]2([C]3456[C]789([BH]%10%114[BH]4%125[BH]5%136[BH]638[BH]385[BH]596[BH]67%11[BH]7%104[BH]356[BH]%12%1387)[Si]31[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C)[N](=C(N2C(C)(C)C)c1ccccc1)C(C)(C)C)Br.Cc1ccccc1.Cc1ccccc1
• Title of publication: Bis(silylenyl)-substituted ferrocene-stabilized 6-arene iron(0) complexes: synthesis, structure and catalytic application
• Authors of publication: Driess, Matthias; Luecke, Marcel Philip; Porwal, Digvijay; Kostenko, Arseni; Zhou, Yupeng; Yao, Shenglai; Keck, Matthias; Limberg, Christian; Oestreich, Martin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.3344 ± 0.0001 Å
• b: 13.6269 ± 0.0001 Å
• c: 24.085 ± 0.0001 Å
• α: 90°
• β: 91.314 ± 0.001°
• γ: 90°
• Cell volume: 5359.6 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No