Information card for entry 4133626

Structure parameters

• Formula: C42 H54 Fe N4 O2 Si2
• Calculated formula: C42 H54 Fe N4 O2 Si2
• SMILES: C1(c2ccccc2)=[N](C(C)(C)C)[Si]23(C(=C=O)[Si]4(O3)([c]35[cH]6[Fe]789%10%11%123([cH]3[cH]7[cH]8[cH]9[c]2%103)[cH]5[cH]%11[cH]6%12)[N](=C(c2ccccc2)N4C(C)(C)C)C(C)(C)C)N1C(C)(C)C
• Title of publication: Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.
• Authors of publication: Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 626 - 634
• a: 16.8653 ± 0.0009 Å
• b: 24.8239 ± 0.0009 Å
• c: 9.3582 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3917.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No