Information card for entry 7223364

Structure parameters

• Formula: C28 H20 N O2 Se Sn
• Calculated formula: C28 H20 N O2 Se Sn
• SMILES: [Sn](OC(=O)c1nc([se]c1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.9209 ± 0.0009 Å
• b: 14.2128 ± 0.0013 Å
• c: 18.9285 ± 0.0017 Å
• α: 109.323 ± 0.002°
• β: 101.238 ± 0.001°
• γ: 94.019 ± 0.001°
• Cell volume: 2444.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No