Information card for entry 7045406

Structure parameters

• Formula: C45.35 H71.92 Fe N6 Si2
• Calculated formula: C45.347 H71.918 Fe N6 Si2
• Title of publication: Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds.
• Authors of publication: Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3243 - 3247
• a: 13.6609 ± 0.0003 Å
• b: 16.2506 ± 0.0005 Å
• c: 22.6277 ± 0.0006 Å
• α: 85.8334 ± 0.0018°
• β: 77.5244 ± 0.0016°
• γ: 72.8578 ± 0.0015°
• Cell volume: 4686.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections: 0.2633
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No