Information card for entry 4113847

Structure parameters

• Formula: C47 H47 Cl3 O P2 Ru S2 W
• Calculated formula: C47 H47 Cl3 O P2 Ru S2 W
• SMILES: [W]123456([Ru](Cl)(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.ClCCl
• 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: 23.7028 ± 0.0005 Å
• b: 14.8984 ± 0.0001 Å
• c: 12.9654 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4578.52 ± 0.11 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 2.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No