Information card for entry 4079043

Structure parameters

• Formula: C31 H51 Co Ru2
• Calculated formula: C31 H51 Co Ru2
• SMILES: [Ru]12345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)C)[Ru]23459%10([H]6)([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[Co]23451([H]7)([H]9)([H]8%10)[c]1([c]2([c]3([c]4([c]51C)C)C)CC)C
• Title of publication: Synthesis of a Heterometallic Trinuclear Cluster Containing Ruthenium and Cobalt and Its Reactivity with Internal Alkynes
• Authors of publication: Nagaoka, Masahiro; Takao, Toshiro; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6547
• a: 10.8082 ± 0.0008 Å
• b: 11.1196 ± 0.001 Å
• c: 15.3516 ± 0.0011 Å
• α: 68.59 ± 0.003°
• β: 73.761 ± 0.002°
• γ: 61.346 ± 0.002°
• Cell volume: 1494.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No