Information card for entry 7223367

Structure parameters

• Formula: C52 H84 Cl2 N2 O6 Se2 Sn4
• Calculated formula: C52 H84 Cl2 N2 O6 Se2 Sn4
• SMILES: [Sn]12([O]3[Sn]([O]([Sn]3(CCCC)(CCCC)Cl)C(=O)c3nc([se]c3)c3ccccc3)([O]1[Sn]([O]2C(=O)c1nc([se]c1)c1ccccc1)(CCCC)(CCCC)Cl)(CCCC)CCCC)(CCCC)CCCC
• Title of publication: Studies of effect of molecular structure and alkyl groups bound with tin(IV) on their cytotoxicity of organotin(IV) 2-phenyl-4-selenazole carboxylates
• Authors of publication: Hong, Min; Yang, Yuanguang; Li, Chuan; Chang, Guoliang; Li, Dacheng; Li, Chenzhong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.656 ± 0.007 Å
• b: 22.167 ± 0.013 Å
• c: 25.229 ± 0.015 Å
• α: 90°
• β: 101.513 ± 0.008°
• γ: 90°
• Cell volume: 6387 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2686
• Residual factor for significantly intense reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.2243
• Weighted residual factors for all reflections included in the refinement: 0.2955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No