Information card for entry 7703021

Structure parameters

• Formula: C71 H86 Ce Cl N7 O3
• Calculated formula: C71 H86 Ce Cl N7 O3
• 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: 13.9455 ± 0.0002 Å
• b: 14.0906 ± 0.0002 Å
• c: 20.0971 ± 0.0003 Å
• α: 76.03 ± 0.001°
• β: 80.32 ± 0.001°
• γ: 61.847 ± 0.001°
• Cell volume: 3372.09 ± 0.09 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No