Information card for entry 7703026

Structure parameters

• Formula: C180 H276 K2 O21 Pr2
• Calculated formula: C180 H276 K2 O21 Pr2
• 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: 18.6073 ± 0.0007 Å
• b: 31.2563 ± 0.0011 Å
• c: 33.684 ± 0.002 Å
• α: 90°
• β: 101.184 ± 0.005°
• γ: 90°
• Cell volume: 19218.4 ± 1.5 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1678
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2719
• Weighted residual factors for all reflections included in the refinement: 0.3281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No