Information card for entry 7223366

Structure parameters

• Formula: C111 N5 O12 Se5 Sn4
• Calculated formula: C111 N5 O12 Se5 Sn4
• SMILES: [Sn]1(CCCCCCCC)(OC(=O)c2nc([se]c2)c2ccccc2)(CCCCCCCC)[O](C(c2c[se]c(c3ccccc3)n2)=O)[Sn]2(CCCCCCCC)(CCCCCCCC)[O]3[Sn](OC(=O)c4nc([se]c4)c4ccccc4)([O]([Sn]3(CCCCCCCC)(CCCCCCCC)[O]12)C(=O)c1nc([se]c1)c1ccccc1)(CCCCCCCC)CCCCCCCC.[se]1cc(C(=O)[O-])nc1c1ccccc1
• 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: 21.0757 ± 0.0013 Å
• b: 16.4218 ± 0.0011 Å
• c: 36.968 ± 0.003 Å
• α: 90°
• β: 97.594 ± 0.008°
• γ: 90°
• Cell volume: 12682.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2842
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.4108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No