Information card for entry 7112698

Structure parameters

• Formula: C69 H114 Li2 Mn O2 Si8
• Calculated formula: C69 H114 Li2 Mn O2 Si8
• Title of publication: Simple routes to bulky silyl-substituted acetylide ligands and examples of V(III), Fe(II), and Mn(II) complexes.
• Authors of publication: Yee, Gereon M.; Kowolik, Kristin; Manabe, Shuhei; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 11680 - 11682
• a: 15.2016 ± 0.0008 Å
• b: 12.4057 ± 0.0006 Å
• c: 20.766 ± 0.001 Å
• α: 90°
• β: 94.668 ± 0.001°
• γ: 90°
• Cell volume: 3903.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No