Information card for entry 7123823

Structure parameters

• Formula: C82 H94 Ag4 B22 O2 P4 S2
• Calculated formula: C82 H94 Ag4 B22 O2 P4 S2
• Title of publication: Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes
• Authors of publication: Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.4734 ± 0.0009 Å
• b: 16.7754 ± 0.0012 Å
• c: 19.1508 ± 0.0013 Å
• α: 90°
• β: 91.565 ± 0.002°
• γ: 90°
• Cell volume: 4326.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No