Information card for entry 4079802

Structure parameters

• Formula: C25 H39 F9 N3 Na Ni O9 Ru S5
• Calculated formula: C25 H40 F9 N3 Na Ni O9 Ru S5
• SMILES: [Ru]123456([S]7[Ni]89[S]1CC[N]9(CCC[N]8(CC7)C)C)([N]#CC)[c]1([c]2([c]3([cH]4[c]5([c]61C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[Na+]
• Title of publication: Selective Redox Activation of H2or O2in a [NiRu] Complex by Aromatic Ligand Effects
• Authors of publication: Kim, Kyoungmok; Kishima, Takahiro; Matsumoto, Takahiro; Nakai, Hidetaka; Ogo, Seiji
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 79
• a: 11.732 ± 0.004 Å
• b: 13.504 ± 0.005 Å
• c: 13.574 ± 0.004 Å
• α: 101.873 ± 0.005°
• β: 92.075 ± 0.003°
• γ: 111.617 ± 0.003°
• Cell volume: 1941.6 ± 1.1 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No