Information card for entry 4123093

Structure parameters

• Formula: C52 H96 Fe2 N4 O2 Sc2 Si4
• Calculated formula: C52 H96 Fe2 N4 O2 Sc2 Si4
• 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: 12.729 ± 0.006 Å
• b: 14.432 ± 0.007 Å
• c: 17.929 ± 0.008 Å
• α: 89.22 ± 0.005°
• β: 72.659 ± 0.006°
• γ: 76.126 ± 0.006°
• Cell volume: 3046 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.242
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No