Information card for entry 7044253

Structure parameters

• Formula: C47 H62 Br2 Fe N4 Ni Si2
• Calculated formula: C47 H62 Br2 Fe N4 Ni Si2
• 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: 29.2617 ± 0.0004 Å
• b: 8.9792 ± 0.0001 Å
• c: 17.6242 ± 0.0002 Å
• α: 90°
• β: 92.099 ± 0.001°
• γ: 90°
• Cell volume: 4627.59 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0497
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No