Information card for entry 7705925

Structure parameters

• Formula: C18 H11 Cl N2 S
• Calculated formula: C18 H11 Cl N2 S
• SMILES: c12cc(ccc1sc(c1cccc(c3ccccc3)n1)n2)Cl
• Title of publication: DNA targeting half sandwich Ru(II)-<i>p</i>-cymene-N^N complexes as cancer cell imaging and terminating agents: influence of regioisomers in cytotoxicity.
• Authors of publication: Mondal, Ashaparna; Sen, Utsav; Roy, Nilmadhab; Muthukumar, Venkatesan; Sahoo, Suban Kumar; Bose, Bipasha; Paira, Priyankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 979 - 997
• a: 11.565 ± 0.003 Å
• b: 11.256 ± 0.003 Å
• c: 11.423 ± 0.003 Å
• α: 90°
• β: 100.628 ± 0.011°
• γ: 90°
• Cell volume: 1461.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No