Information card for entry 4122889

Structure parameters

• Formula: C28 H35 N O2 Ru2
• Calculated formula: C28 H35 N O2 Ru2
• SMILES: [Ru]123456([Ru]789%10(N1c1ccccc1)([C]2C(=O)O)[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: 11.013 ± 0.008 Å
• b: 11.881 ± 0.012 Å
• c: 13.538 ± 0.011 Å
• α: 73.53 ± 0.03°
• β: 71.1 ± 0.03°
• γ: 76.21 ± 0.03°
• Cell volume: 1586 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2479
• Residual factor for significantly intense reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.2973
• Weighted residual factors for all reflections included in the refinement: 0.3783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No