Information card for entry 4105863

Structure parameters

• Formula: C116 H172 Fe2 N6 O4 Si4 Y2
• Calculated formula: C116 H172 Fe2 N6 O4 Si4 Y2
• Title of publication: An Unusual Hydrogen Migration/C-H Activation Reaction with Group 3 Metals
• Authors of publication: Bryan N. Williams; Diego Benitez; Kevin L. Miller; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4680 - 4683
• a: 25.084 ± 0.002 Å
• b: 17.1073 ± 0.0015 Å
• c: 28.101 ± 0.003 Å
• α: 90°
• β: 110.8 ± 0.001°
• γ: 90°
• Cell volume: 11272.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No