Information card for entry 7710980

Structure parameters

• Formula: C22 H22 Br O P S2 Sn
• Calculated formula: C22 H22 Br O P S2 Sn
• SMILES: [Sn]1(Br)(SC(=S)P(=[O]1)(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C
• Title of publication: Cytotoxic Effects of Halogenated Tin Phosphinoyldithioformate Complexes Against Several Cancer Cell Lines
• Authors of publication: Balogová, Michaela; Sharma, Shubham; Cherek, Paulina; Ólafsson, Sigurjon N.; Jónsdóttir, Sigríður; Ogmundsdottir, Helga M.; Damodaran, Krishna K.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.8987 ± 0.0007 Å
• b: 14.6186 ± 0.0011 Å
• c: 14.7512 ± 0.001 Å
• α: 90°
• β: 91.544 ± 0.002°
• γ: 90°
• Cell volume: 2349.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No