Information card for entry 4519336

Structure parameters

• Formula: C25 H36 Fe N2 Si
• Calculated formula: C25 H36 Fe N2 Si
• Title of publication: Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes
• Authors of publication: Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L.
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Pages of publication: 2979 - 2985
• a: 18.7305 ± 0.0007 Å
• b: 14.4274 ± 0.0007 Å
• c: 17.8945 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4835.7 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No