Information card for entry 7039487

Structure parameters

• Common name: czq2
• Chemical name: Ru(C10H8N2)2Cl2(CF3SO3)
• Formula: C23 H19 Cl2 F3 N5 O3 Ru S
• Calculated formula: C23 H19 Cl2 F3 N5 O3 Ru S
• SMILES: [Ru]12(Cl)(Cl)([n]3c(c4[n]1cccc4)cccc3)[n]1c(c3[n]2cccc3)cccc1.S(=O)(=O)(C(F)(F)F)[O-].N#CC
• Title of publication: Synergistic oxygen atom transfer by ruthenium complexes with non-redox metal ions.
• Authors of publication: Lv, Zhanao; Zheng, Wenrui; Chen, Zhuqi; Tang, Zhiming; Mo, Wanling; Yin, Guochuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11369 - 11383
• a: 15.095 ± 0.0006 Å
• b: 14.0023 ± 0.0006 Å
• c: 12.335 ± 0.0005 Å
• α: 90°
• β: 108.689 ± 0.001°
• γ: 90°
• Cell volume: 2469.71 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No