Information card for entry 7016276

Structure parameters

• Formula: C41 H40 F6 N5 O P Ru S2
• Calculated formula: C41 H40 F6 N5 O P Ru S2
• SMILES: [Ru]1234([S]=C(NCc5ccccc5)c5c4c(C(=[S]1)NCc1ccccc1)ccc5)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.[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: 11.75 ± 0.02 Å
• b: 13.87 ± 0.03 Å
• c: 14.74 ± 0.03 Å
• α: 77.43 ± 0.02°
• β: 86.74 ± 0.03°
• γ: 64.02 ± 0.04°
• Cell volume: 2106 ± 7 ų
• Cell temperature: 120.1 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: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No