Information card for entry 7709117

Structure parameters

• Chemical name: Bis(1,3-diphenylphosphinyl)propane-ruthenium(I)chloride
• Formula: C57.57 H59.14 Cl1.23 O0.89 P4 Ru
• Calculated formula: C57.572 H59.144 Cl1.226 O0.893 P4 Ru
• Title of publication: Development and application of redox-active cyclometallating ligands based on W(II) alkyne complexes
• Authors of publication: Hüttenschmidt, Mareike; Lange, Helge; Cordero, Miguel A. Argüello; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram Willy
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.1304 ± 0.0009 Å
• b: 10.529 ± 0.0007 Å
• c: 35.658 ± 0.002 Å
• α: 90°
• β: 100.466 ± 0.002°
• γ: 90°
• Cell volume: 4847.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No