Information card for entry 7016277

Structure parameters

• Formula: C39 H29 F6 N6 O P Ru S2
• Calculated formula: C39 H29 F6 N6 O P Ru S2
• SMILES: [Ru]1234([S]=C(NCc5ccccc5)c5n4c(C(=[S]1)NCc1ccccc1)cc5)[n]1c(c4[n]3c(c3[n]2cccc3)ccc4)cccc1.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Deprotonation/protonation of coordinated secondary thioamide units of pincer ruthenium complexes: Modulation of voltammetric and spectroscopic characterization of the pincer complexes.
• Authors of publication: Teratani, Takuya; Koizumi, Take-Aki; Yamamoto, Takakazu; Tanaka, Koji; Kanbara, Takaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8879 - 8886
• a: 12.5277 ± 0.0015 Å
• b: 13.2909 ± 0.0015 Å
• c: 13.9813 ± 0.0016 Å
• α: 102.749 ± 0.003°
• β: 93.231 ± 0.003°
• γ: 115.61 ± 0.003°
• Cell volume: 2016.8 ± 0.4 ų
• Cell temperature: 131 K
• Ambient diffraction temperature: 131 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No