Information card for entry 4122887

Structure parameters

• Formula: C27 H35 N Ru2 S
• Calculated formula: C27 H35 N Ru2 S
• SMILES: [Ru]123456([Ru]789%10(N1c1ccccc1)(C2=S)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.
• Authors of publication: Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141104122937002
• a: 17.052 ± 0.004 Å
• b: 15.401 ± 0.003 Å
• c: 20.091 ± 0.006 Å
• α: 90°
• β: 98.56 ± 0.011°
• γ: 90°
• Cell volume: 5217 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2255
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No