Information card for entry 4127842

Structure parameters

• Formula: C52 H44 Cr F18 N6 O3 P3
• Calculated formula: C52 H44 Cr F18 N6 O3 P3
• Title of publication: Chiral Molecular Ruby [Cr(dqp)₂]³⁺ with Long-Lived Circularly Polarized Luminescence.
• Authors of publication: Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13244 - 13252
• a: 13.45292 ± 0.0001 Å
• b: 17.12816 ± 0.00013 Å
• c: 23.425 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5397.68 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No