Information card for entry 7123821

Structure parameters

• Formula: C46 H60 Au2 B22 O P2
• Calculated formula: C46 H60 Au2 B22 O P2
• 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: 32.353 ± 0.002 Å
• b: 9.0652 ± 0.0005 Å
• c: 26.6939 ± 0.0016 Å
• α: 90°
• β: 113.503 ± 0.003°
• γ: 90°
• Cell volume: 7179.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 3.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No