Information card for entry 7713544

Structure parameters

• Formula: C62 H83 Ga3 P2 Ru
• Calculated formula: C62 H83 Ga3 P2 Ru
• SMILES: [Ru]1([Ga]2345[c]6(C)[c]3(C)[c]4([c]5(C)[c]26C)C)([Ga]2345[c]6(C)[c]3(C)[c]4([c]5(C)[c]26C)C)([Ga]2345[c]6(C)[c]3(C)[c]4([c]5(C)[c]26C)C)[P](c2ccccc2)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1.CCCCCC
• Title of publication: Photochemically Generated Reactive Sites at Ruthenium/Gallium Complexes: Catalysis vs. Cluster Growth.
• Authors of publication: Bühler, Raphael; Muhr, Maximilian; Stephan, Johannes; Wolf, Robert; Schütz, Max; Gemel, Christian; Fischer, Roland A.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.841 ± 0.003 Å
• b: 12.724 ± 0.002 Å
• c: 22.94 ± 0.004 Å
• α: 90°
• β: 99.625 ± 0.007°
• γ: 90°
• Cell volume: 5709.8 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1073
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No