Information card for entry 7709618

Structure parameters

• Formula: C28 H29 I N2 O2 Ru S
• Calculated formula: C28 H29 I N2 O2 Ru S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1[Ru]23456(I)([NH](CC1)Cc1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]5[c]61c1ccccc1
• Title of publication: Effect of cysteine thiols on the catalytic and anticancer activity of Ru(ii) sulfonyl-ethylenediamine complexes
• Authors of publication: Chen, Feng; Romero-Canelón, Isolda; Habtemariam, Abraha; Song, Ji-Inn; Banerjee, Samya; Clarkson, Guy J.; Song, Lijiang; Prokes, Ivan; Sadler, Peter J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.91549 ± 0.00004 Å
• b: 9.33603 ± 0.00004 Å
• c: 13.28373 ± 0.00005 Å
• α: 90°
• β: 98.2296 ± 0.0003°
• γ: 90°
• Cell volume: 1339.77 ± 0.009 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No