Information card for entry 1513215

Structure parameters

• Common name: turro1917
• Formula: C34 H26 F12 N6 P2 Ru
• Calculated formula: C34 H26 F12 N6 P2 Ru
• SMILES: c12ccccc1ccc1c3ccc4c(cccc4)[n]3[Ru]3([n]21)([n]1cccc2c1c1c(ccc[n]31)cc2)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Selective Photoinduced Ligand Exchange in a New Tris-Heteroleptic Ru(II) Complex.
• Authors of publication: Albani, Bryan A.; Durr, Christopher B.; Turro, Claudia
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 50
• Pages of publication: 13885 - 13892
• a: 10.2377 ± 0.0002 Å
• b: 11.7776 ± 0.0002 Å
• c: 15.0852 ± 0.0002 Å
• α: 98.004 ± 0.001°
• β: 99.653 ± 0.001°
• γ: 97.468 ± 0.001°
• Cell volume: 1753.65 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No