Information card for entry 4123098

Structure parameters

• Formula: C35.08 H58.22 Fe I0.15 N2 O2 Si2 Y
• Calculated formula: C35.0838 H58.2365 Fe I0.1527 N2 O2 Si2 Y
• Title of publication: Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.
• Authors of publication: Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141208061549006
• a: 9.7595 ± 0.001 Å
• b: 29.761 ± 0.003 Å
• c: 12.8474 ± 0.0013 Å
• α: 90°
• β: 94.539 ± 0.001°
• γ: 90°
• Cell volume: 3719.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No