Information card for entry 7703024

Structure parameters

• Formula: C95 H109 Ce K N8 O4
• Calculated formula: C95 H109 Ce K N8 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: 17.29805 ± 0.00013 Å
• b: 21.51193 ± 0.00016 Å
• c: 25.0448 ± 0.0004 Å
• α: 97.6409 ± 0.0009°
• β: 103.454 ± 0.0009°
• γ: 94.2363 ± 0.0006°
• Cell volume: 8930.03 ± 0.18 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0866
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No