Information card for entry 4086999

Structure parameters

• Formula: C101 H180 F4 Fe4 N8 O2 Sc4 Si8
• Calculated formula: C101 H180 F4 Fe4 N8 O2 Sc4 Si8
• Title of publication: Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes
• Authors of publication: Huang, Wenliang; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 1
• Pages of publication: 89
• a: 11.534 ± 0.003 Å
• b: 13.143 ± 0.003 Å
• c: 20.525 ± 0.005 Å
• α: 71.835 ± 0.002°
• β: 87.753 ± 0.002°
• γ: 79.358 ± 0.002°
• Cell volume: 2904.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No