Information card for entry 7032071

Structure parameters

• Formula: C25 H23 F12 N7 P2 Ru
• Calculated formula: C25 H23 F12 N7 P2 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]3([n]12)([N](c1ccccc1)=Nc1cccc[n]31)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 10.4476 ± 0.0005 Å
• b: 11.4883 ± 0.0006 Å
• c: 13.8038 ± 0.0008 Å
• α: 89.276 ± 0.002°
• β: 70.185 ± 0.002°
• γ: 72.949 ± 0.003°
• Cell volume: 1483.24 ± 0.14 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: 0.065
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No