Information card for entry 4349137

Structure parameters

• Formula: C52 H41 F12 N9 P2 Ru
• Calculated formula: C52 H41 F12 N9 P2 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1cc(c2ccc(cc2)N(c2ccccc2)c2ccccc2)ccc1c1cn(Cc2ccccc2)n[n]41.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.
• Authors of publication: Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12238 - 12253
• a: 12.5021 ± 0.0004 Å
• b: 13.9357 ± 0.0005 Å
• c: 28.7104 ± 0.0012 Å
• α: 89.997 ± 0.003°
• β: 89.931 ± 0.003°
• γ: 87.238 ± 0.003°
• Cell volume: 4996.3 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.2653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No