Information card for entry 7032070

Structure parameters

• Formula: C27 H26 F12 N6 P2 Ru
• Calculated formula: C27 H26 F12 N6 P2 Ru
• SMILES: c1cccc2C=[N](c3ccc(cc3)C)[Ru]3([n]12)([n]1ccccc1c1cccc[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: 14.0071 ± 0.0001 Å
• b: 14.1691 ± 0.0002 Å
• c: 15.9424 ± 0.0002 Å
• α: 90°
• β: 92.672 ± 0.001°
• γ: 90°
• Cell volume: 3160.62 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No