Information card for entry 7032068

Structure parameters

• Common name: turro1966
• Formula: C34 H36 F12 N8 P2 Ru
• Calculated formula: C34 H36 F12 N8 P2 Ru
• SMILES: c1(ccc(cc1)C)[N]1=Cc2cccc[n]2[Ru]21([N](c1ccc(cc1)C)=Cc1cccc[n]21)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].C(#N)C.[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.
• Authors of publication: Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 17828 - 17837
• a: 7.9218 ± 0.0001 Å
• b: 11.0249 ± 0.0001 Å
• c: 11.9521 ± 0.0001 Å
• α: 88.284 ± 0.001°
• β: 73.575 ± 0.001°
• γ: 82.065 ± 0.001°
• Cell volume: 991.63 ± 0.018 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: 0.0344
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No