Information card for entry 1517748

Structure parameters

• Formula: C24 H20 F6 N7 O5 P Ru
• Calculated formula: C24 H20 F6 N7 O5 P Ru
• SMILES: [Ru]123(OC4NC(=O)NC(=O)C=4[N]1=O)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Reversible and pH dependent photophysical properties of mixed-ligand Ru(II) complexes containing 2,2'-bipyridine and nitrosobarbiturate: Experimental and theoretical approach
• Authors of publication: Namrata Dixit; Stanislav Zalis; Biswajit Maiti; Lallan Mishra
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 123 - 130
• a: 22.307 ± 0.003 Å
• b: 14.9475 ± 0.0013 Å
• c: 16.772 ± 0.0014 Å
• α: 90°
• β: 102.34 ± 0.011°
• γ: 90°
• Cell volume: 5463.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No