Information card for entry 1515893

Structure parameters

• Formula: C34 H37 Cl N2 O4 Sn
• Calculated formula: C34 H37 Cl N2 O4 Sn
• SMILES: [Sn](Cl)(OC(=O)CN1C(=O)c2c(C1=O)cccc2)(c1ccccc1)(c1ccccc1)c1ccccc1.[NH+](CC)(CC)CC
• Title of publication: Synthesis and biological applications of ionic triphenyltin(IV) chloride carboxylate complexes with exceptionally high cytotoxicity.
• Authors of publication: Kaluđerović, Goran N; Kommera, Harish; Hey-Hawkins, Evamarie; Paschke, Reinhard; Gómez-Ruiz, Santiago
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 419 - 428
• a: 9.9082 ± 0.0005 Å
• b: 30.6676 ± 0.0009 Å
• c: 11.2189 ± 0.0004 Å
• α: 90°
• β: 107.661 ± 0.005°
• γ: 90°
• Cell volume: 3248.3 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No