Information card for entry 7703025

Structure parameters

• Formula: C64 H86 O4
• Calculated formula: C64 H86 O4
• Title of publication: Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry.
• Authors of publication: Arnold, Polly L.; Wang, Kai; Gray, Steven J.; Moreau, Liane M.; Booth, Corwin H.; Curcio, Massimiliano; Wells, Jordann A. L.; Slawin, Alexandra M. Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 877 - 884
• a: 10.958 ± 0.0006 Å
• b: 18.271 ± 0.001 Å
• c: 14.4742 ± 0.0007 Å
• α: 90°
• β: 97.547 ± 0.005°
• γ: 90°
• Cell volume: 2872.8 ± 0.3 ų
• Cell temperature: 120 ± 0.14 K
• Ambient diffraction temperature: 120 ± 0.14 K
• Number of distinct elements: 3
• 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: 0.1238
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No