Information card for entry 4123683

Structure parameters

• Common name: IPr-ClFe-N(SiMe3)DIPP
• Formula: C42 H62 Cl Fe N3 Si
• Calculated formula: C42 H62 Cl Fe N3 Si
• Title of publication: Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.
• Authors of publication: Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 19
• Pages of publication: 6366 - 6372
• a: 13.2902 ± 0.001 Å
• b: 16.1855 ± 0.0012 Å
• c: 22.2958 ± 0.0016 Å
• α: 105.593 ± 0.004°
• β: 105.549 ± 0.004°
• γ: 90.749 ± 0.004°
• Cell volume: 4431.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No