Information card for entry 4105476

Structure parameters

• Formula: C54 H60 B N O2 Ru2
• Calculated formula: C54 H60 B N O2 Ru2
• SMILES: [Ru]123456([Ru]789%10([NH]1c1ccccc1)(C2C)(C#[O])[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(C#[O])[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.3348 ± 0.0006 Å
• b: 12.4787 ± 0.0005 Å
• c: 15.2195 ± 0.0006 Å
• α: 88.359 ± 0.001°
• β: 77.721 ± 0.001°
• γ: 87.216 ± 0.001°
• Cell volume: 2285.93 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No