Information card for entry 7056773

Structure parameters

• Formula: C54 H46 N3 O3 P2 Ru S
• Calculated formula: C54 H46 N3 O3 P2 Ru S
• Title of publication: Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation
• Authors of publication: Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 336
• a: 13.0418 ± 0.0003 Å
• b: 13.4769 ± 0.0003 Å
• c: 13.6076 ± 0.0003 Å
• α: 79.4942 ± 0.0012°
• β: 80.9076 ± 0.0011°
• γ: 71.6378 ± 0.0011°
• Cell volume: 2218.88 ± 0.09 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No