Information card for entry 7703019

Structure parameters

• Formula: C62 H73 Cl N6 O2 Pr
• Calculated formula: C62 H73 Cl N6 O2 Pr
• 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: 13.8885 ± 0.0003 Å
• b: 14.0584 ± 0.0002 Å
• c: 20.1573 ± 0.0003 Å
• α: 76.568 ± 0.001°
• β: 80.439 ± 0.002°
• γ: 62.616 ± 0.002°
• Cell volume: 3391.09 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0629
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No