Information card for entry 7044255

Structure parameters

• Formula: C32 H56 B10 N4 Si2
• Calculated formula: C32 H56 B10 N4 Si2
• SMILES: [Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)[C]1234[BH]567[BH]893[BH]3%102[BH]2%111[BH]1%12%13[BH]%145([BH]568[BH]61%14[BH]935[BH]%102%126)[C]47%11%13[Si]1[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• 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: 27.1017 ± 0.0003 Å
• b: 15.66 ± 0.0002 Å
• c: 26.8284 ± 0.0003 Å
• α: 90°
• β: 115.784 ± 0.002°
• γ: 90°
• Cell volume: 10252.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No