Information card for entry 7219485

Structure parameters

• Formula: C8 H17 Cl4 N3 O4 Sn
• Calculated formula: C8 H17 Cl4 N3 O4 Sn
• SMILES: C1(=O)O[Sn]2(Cl)([NH](C1)CC(=O)O2)(Cl)Cl.C1[NH2+]CC[NH2+]C1.[Cl-]
• Title of publication: Crystal structure determination, spectroscopic characterization and biological profile of a tailored ionic molecular entity, Sn(iv) iminodiacetic acid‒piperazinediium conjugate: in vitro DNA/RNA binding studies, Topo I inhibition activity, cytotoxic and systemic toxicity studies
• Authors of publication: Arjmand, Farukh; Yousuf, Imtiyaz; Zaidi, Yusra; Toupet, Loic
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 16250
• a: 13.9718 ± 0.0003 Å
• b: 9.84 ± 0.0002 Å
• c: 11.9523 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1643.23 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No