Information card for entry 2021145

Structure parameters

• Chemical name: Poly[[(μ~2~-η^3^:η^2^-anthracenediyl)bis(η^6^-anthracenediyl)bis(η^5^-1,3-diphenylcyclopentadienyl)tetrakis(tetrahydrofuran)dipotassiumdiscandium(III)] tetrahydrofuran monosolvate]
• Formula: C96 H96 K2 O5 Sc2
• Calculated formula: C96 H96 K2 O5 Sc2
• Title of publication: Scandium complexes with the tetraphenylethylene and anthracene dianions
• Authors of publication: Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 769 - 781
• a: 18.1056 ± 0.0012 Å
• b: 19.9164 ± 0.0013 Å
• c: 21.8633 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7883.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes