Information card for entry 4086003

Structure parameters

• Formula: C29 H31 B Cl O2 P Ru
• Calculated formula: C29 H31 B Cl O2 P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)(Cl)([CH]6[B]4([CH]1=[CH]3C5[CH]2=6)OCC)=C1OCCC1
• Title of publication: Half-SandwichB-Oxy Boratabenzene Ruthenium Complexes: Synthesis, Characterization, and Reactivity of (η6-C5H5BOR)RuCl(PPh3)2(R = Et, Me)
• Authors of publication: Li, Ting; Fu, Chen; Liu, Zi; Guo, Shuiliang; Liu, Zicheng; Wen, Ting-Bin
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3292
• a: 8.9571 ± 0.0018 Å
• b: 10.018 ± 0.002 Å
• c: 15.012 ± 0.003 Å
• α: 88.08 ± 0.03°
• β: 75.76 ± 0.03°
• γ: 81.77 ± 0.03°
• Cell volume: 1292.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No