Information card for entry 4326825

Structure parameters

• Formula: C46 H52 Cl2 F12 N4 O P2 Ru2
• Calculated formula: C46 H52 Cl2 F12 N4 O P2 Ru2
• SMILES: c1cc2c3cccc([n]3[Ru]34567([n]2cc1)([c]1([cH]3[cH]4[c]6([cH]7[cH]51)C)C(C)C)Cl)C#Cc1cccc2c3cccc[n]3[Ru]34567([n]12)([c]1([cH]3[cH]4[c]5([cH]6[cH]71)C)C(C)C)Cl.[P](F)(F)(F)(F)(F)[F-].CCOCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2?
• Authors of publication: Konstantin Livanov; Vedichi Madhu; Ekambaram Balaraman; Linda J. W. Shimon; Yael Diskin-Posner; Ronny Neumann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11273 - 11275
• a: 29.615 ± 0.002 Å
• b: 12.3591 ± 0.001 Å
• c: 13.4634 ± 0.001 Å
• α: 90°
• β: 101.429 ± 0.003°
• γ: 90°
• Cell volume: 4830.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No