Information card for entry 4512439

Structure parameters

• Formula: C30 H34 Cl4 N10 O4 Sn
• Calculated formula: C30 H34 Cl4 N10 O4 Sn
• SMILES: Nc1c2c(nc[nH+]1)n(cn2)CCC(=O)OC.[Sn](c1ccccc1)(c1ccccc1)(Cl)(Cl)(Cl)Cl.c1[nH+]c(c2c(n1)n(cn2)CCC(=O)OC)N
• Title of publication: Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures
• Authors of publication: Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 247
• a: 7.073 ± 0.005 Å
• b: 11.034 ± 0.005 Å
• c: 12.475 ± 0.005 Å
• α: 114.821 ± 0.005°
• β: 92.83 ± 0.005°
• γ: 99.652 ± 0.005°
• Cell volume: 863.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No