Information card for entry 7711706

Structure parameters

• Formula: C81.41 H91.12 B3 Cr F12 N15.71
• Calculated formula: C81.416 H91.124 B3 Cr F12 N15.708
• 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: 12.594 ± 0.003 Å
• b: 22.072 ± 0.004 Å
• c: 29.472 ± 0.006 Å
• α: 90°
• β: 90.43 ± 0.03°
• γ: 90°
• Cell volume: 8192 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No