Information card for entry 7060195

Structure parameters

• Formula: C15 H15 N O3 Sn
• Calculated formula: C15 H15 N O3 Sn
• SMILES: [Sn]1([O]=Cc2c1cccc2)(OC(=O)c1ccncc1)(C)C
• Title of publication: Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells
• Authors of publication: Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 1020 - 1028
• a: 7.2969 ± 0.0006 Å
• b: 10.3968 ± 0.0008 Å
• c: 19.3079 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1464.78 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No