Information card for entry 7032069

Structure parameters

• Formula: C30 H30 F12 N6 P2 Ru
• Calculated formula: C30 H30 F12 N6 P2 Ru
• SMILES: c1(ccc(cc1)C)[N]1=Cc2[n](cccc2)[Ru]21([N]#CC)([N](c1ccc(cc1)C)=Cc1[n]2cccc1)[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: 17.9182 ± 0.0004 Å
• b: 14.9211 ± 0.0003 Å
• c: 13.9631 ± 0.0002 Å
• α: 90°
• β: 110.621 ± 0.001°
• γ: 90°
• Cell volume: 3493.98 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No