Information card for entry 4073670

Structure parameters

• Formula: C35 H33 Cl F18 Li2 N6 O Ru2
• Calculated formula: C35 H33 Cl F18 Li2 N6 O Ru2
• SMILES: [Ru]1234567([O]89[Li]([n]%10c(C(F)(F)F)cc(n%10[Li]9[n]9n1c(cc9C(F)(F)F)C(F)(F)F)C(F)(F)F)[n]1n([Ru]9%10%11%1278([Cl]2)[c]2([c]9(C)[c]%10([c]%11(C)[c]%122C)C)C)c(cc1C(F)(F)F)C(F)(F)F)[c]1([c]3(C)[c]4([c]5(C)[c]61C)C)C
• Title of publication: Synthesis and Structures of Dinuclear 3,5-Bis(trifluoromethyl)pyrazolate Complexes of Ruthenium
• Authors of publication: Waheed, Abdul; Jones, Richard A.; Agapiou, Kyriacos; Yang, Xiaoping; Moore, Jennifer A.; Ekerdt, John G.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6778 - 6783
• a: 20.364 ± 0.003 Å
• b: 12.918 ± 0.001 Å
• c: 16.369 ± 0.002 Å
• α: 90°
• β: 104.44 ± 0.02°
• γ: 90°
• Cell volume: 4170 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No