Information card for entry 4342199

Structure parameters

• Formula: C36 H31 F12 N9 P2 Ru
• Calculated formula: C36 H31 F12 N9 P2 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1n1cc(Cc2ccccc2)n[n]41.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Comparison of Inverse and Regular 2-Pyridyl-1,2,3-triazole "Click" Complexes: Structures, Stability, Electrochemical, and Photophysical Properties.
• Authors of publication: Lo, Warrick K. C.; Huff, Gregory S.; Cubanski, John R.; Kennedy, Aaron D. W.; McAdam, C. John; McMorran, David A.; Gordon, Keith C.; Crowley, James D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1572 - 1587
• a: 9.8863 ± 0.0002 Å
• b: 12.5165 ± 0.0002 Å
• c: 17.2022 ± 0.0002 Å
• α: 78.429 ± 0.002°
• β: 84.92 ± 0.002°
• γ: 78.27 ± 0.002°
• Cell volume: 2039.29 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0418
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No