Information card for entry 4105475

Structure parameters

• Formula: C35 H58 F3 N O3 P2 Pt Ru2 S
• Calculated formula: C35 H57 F3 N O3 P2 Pt Ru2 S
• SMILES: [Pt]([C]1[Ru]23456([Ru]789%101([NH]2c1ccccc1)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)([P](C)(C)C)([P](C)(C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process
• Authors of publication: Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18026 - 18027
• a: 8.9775 ± 0.0003 Å
• b: 22.5389 ± 0.0008 Å
• c: 10.0483 ± 0.0004 Å
• α: 90°
• β: 97.942 ± 0.001°
• γ: 90°
• Cell volume: 2013.7 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No