Information card for entry 7248495

Structure parameters

• Formula: C30 H32 Fe Si3
• Calculated formula: C30 H32 Fe Si3
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[cH]81)CC([SiH2]c1ccccc1)([SiH2]c1ccccc1)[SiH2]c1ccccc1
• Title of publication: Solvent-free copper-catalyzed trisilylation of alkynes: a practical and atom-economical approach for accessing 1,1,1-trisilylalkanes
• Authors of publication: Li, Jia; Ge, Shaozhong
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 6032 - 6038
• a: 10.438 ± 0.0003 Å
• b: 10.4738 ± 0.0003 Å
• c: 13.8516 ± 0.0004 Å
• α: 105.82 ± 0.001°
• β: 109.039 ± 0.001°
• γ: 96.807 ± 0.001°
• Cell volume: 1340.97 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No