Information card for entry 1513216

Structure parameters

• Common name: turro1923
• Formula: C41.55 H38.36 F12 N6 O P2 Ru
• Calculated formula: C41.546 H38.364 F12 N6 O P2 Ru
• SMILES: c1ccc2c3c4c(ccc[n]4[Ru]4([n]13)([n]1c(c3ccc6c(cccc6)[n]43)ccc3c1cccc3)([N]#CC)[n]1ccccc1)cc2.c1ccc2c3c4c(ccc[n]4[Ru]4([n]13)([n]1c(c3ccc6c(cccc6)[n]43)ccc3c1cccc3)([n]1ccccc1)[n]1ccccc1)cc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• 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: 9.9878 ± 0.0003 Å
• b: 11.866 ± 0.0003 Å
• c: 18.5529 ± 0.0004 Å
• α: 98.583 ± 0.002°
• β: 92.11 ± 0.002°
• γ: 99.059 ± 0.001°
• Cell volume: 2142.96 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No