Information card for entry 7241630

Structure parameters

• Formula: C64 H54 P4 Ru S2
• Calculated formula: C64 H54 P4 Ru S2
• Title of publication: Synthesis and charge transfer characteristics of a ruthenium‒acetylide complex
• Authors of publication: Kuhrt, Robert; Ho, Po-Yuen; Hantusch, Martin; Lissel, Franziska; Blacque, Olivier; Knupfer, Martin; Büchner, Bernd
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 70
• Pages of publication: 43242 - 43247
• a: 9.46352 ± 0.00014 Å
• b: 12.66738 ± 0.00018 Å
• c: 12.98267 ± 0.00014 Å
• α: 116.784 ± 0.0013°
• β: 100.583 ± 0.0012°
• γ: 98.7407 ± 0.0012°
• Cell volume: 1315.96 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No