Information card for entry 7711705

Structure parameters

• Formula: C46 H54 B3 Cr F12 N14
• Calculated formula: C46 H54 B3 Cr F12 N14
• Title of publication: Bulky ligands protect molecular ruby from oxygen quenching
• Authors of publication: Stein, Laura; Wang, Cui; Förster, Christoph; Resch-Genger, Ute; Heinze, Katja
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.023 ± 0.002 Å
• b: 14.529 ± 0.003 Å
• c: 15.57 ± 0.003 Å
• α: 84.63 ± 0.03°
• β: 80.15 ± 0.03°
• γ: 76.8 ± 0.03°
• Cell volume: 2604.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0484
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No