Information card for entry 4106250

Structure parameters

• Common name: [Ru(tpy)(PyNaph)(H2O)](PF6)2 - (H2O)(Me2CO)
• Formula: C31 H30 F12 N6 O3 P2 Ru
• Calculated formula: C31 H30 F12 N6 O3 P2 Ru
• SMILES: [Ru]123([OH2])([n]4c(cccc4c4[n]2cccc4)c2[n]1cccc2)[n]1c(ccc2cccnc12)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O=C(C)C
• Title of publication: Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis
• Authors of publication: Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8846 - 8849
• a: 8.841 ± 0.0008 Å
• b: 11.402 ± 0.001 Å
• c: 18.571 ± 0.001 Å
• α: 102.158 ± 0.005°
• β: 91.087 ± 0.006°
• γ: 97.925 ± 0.001°
• Cell volume: 1810.4 ± 0.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No