Information card for entry 4105862

Structure parameters

• Formula: C48 H55 Fe N4 Si2 Y
• Calculated formula: C48 H55 Fe N4 Si2 Y
• 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: 18.311 ± 0.002 Å
• b: 12.1533 ± 0.0014 Å
• c: 20.892 ± 0.003 Å
• α: 90°
• β: 103.439 ± 0.001°
• γ: 90°
• Cell volume: 4522 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No