Information card for entry 4113849

Structure parameters

• Formula: C86 H79 B F24 O3 P2 Ru S2 W
• Calculated formula: C86 H78 B F24 O3 P2 Ru S2 W
• SMILES: [W]123456([RuH](S1)(S2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(=O)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O(CC)CC.O(CC)CC
• Title of publication: Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes
• Authors of publication: Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7978 - 7988
• a: 13.929 ± 0.001 Å
• b: 14.281 ± 0.002 Å
• c: 23.637 ± 0.003 Å
• α: 103.543 ± 0.003°
• β: 104.86 ± 0.001°
• γ: 95.669 ± 0.001°
• Cell volume: 4354.7 ± 0.9 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No