Information card for entry 7056771

Structure parameters

• Formula: C49 H39.92 N3 O3.46 P2 Ru S
• Calculated formula: C49 H39 N3 O3.461 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: 11.7445 ± 0.0004 Å
• b: 13.1594 ± 0.0005 Å
• c: 15.1515 ± 0.0006 Å
• α: 86.303 ± 0.002°
• β: 81.895 ± 0.002°
• γ: 65.417 ± 0.002°
• Cell volume: 2108.11 ± 0.14 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No