Information card for entry 4314523

Structure parameters

• Formula: C30 H24 F15 O3 S3 Yb
• Calculated formula: C30 H24 F15 O3 S3 Yb
• SMILES: [Yb](Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Covalent Bonding and the Trans Influence in Lanthanide Compounds
• Authors of publication: Karsten Krogh-Jespersen; Michael D. Romanelli; Jonathan H. Melman; Thomas J. Emge; John G. Brennan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 552 - 560
• a: 9.5814 ± 0.0016 Å
• b: 15.885 ± 0.002 Å
• c: 23.035 ± 0.003 Å
• α: 90°
• β: 100.032 ± 0.014°
• γ: 90°
• Cell volume: 3452.3 ± 0.9 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 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: 0.087
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0934
• 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: No
• Has Fobs: No