Information card for entry 7701656

Structure parameters

• Formula: C21 H21 Cl N4 O3 Pd S
• Calculated formula: C21 H21 Cl N4 O3 Pd S
• Title of publication: para metallation of 3-acetyl-chromen-2-one Schiff bases in tetranuclear palladacycles: focus on their biomolecular interaction and in vitro cytotoxicity.
• Authors of publication: Kalaiarasi, G.; Dharani, S.; Lynch, V. M.; Prabhakaran, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12496 - 12511
• a: 15.5188 ± 0.0002 Å
• b: 8.3081 ± 0.0001 Å
• c: 17.732 ± 0.0003 Å
• α: 90°
• β: 112.067 ± 0.002°
• γ: 90°
• Cell volume: 2118.74 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0216
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No