Information card for entry 7123825

Structure parameters

• Formula: C40 H43 Au2 B11 Cl2 P2
• Calculated formula: C40 H43 Au2 B11 Cl2 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: 11.2596 ± 0.0005 Å
• b: 12.2332 ± 0.0006 Å
• c: 18.003 ± 0.0009 Å
• α: 80.935 ± 0.001°
• β: 75.008 ± 0.001°
• γ: 68.427 ± 0.001°
• Cell volume: 2222.16 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.02
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No