Information card for entry 7133167

Structure parameters

• Formula: C93 H88 Ce4 N4
• Calculated formula: C93 H88 Ce4 N4
• Title of publication: Assembly of a Trapped Valent CeIII/IV-TCNQ Complex Through Metal-Ligand Redox Cooperativity
• Authors of publication: Gupta, Himanshu; Vincenzini, Brett D.; Bacon, Alexandra M.; Schelter, Eric J.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 8.0983 ± 0.0001 Å
• b: 17.5589 ± 0.0001 Å
• c: 27.1102 ± 0.0002 Å
• α: 90°
• β: 90.172 ± 0.001°
• γ: 90°
• Cell volume: 3854.98 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No