Information card for entry 4512438

Structure parameters

• Formula: C28 H32 Cl4 N10 O6 Sn
• Calculated formula: C28 H32 Cl4 N10 O6 Sn
• SMILES: c1[nH]c(c2c(n1)[n+](cn2)CC(=O)OC)N.[OH2][Sn](c1ccccc1)(Cl)(Cl)(Cl)c1ccccc1.O.[Cl-].c1[nH]c(c2c(n1)[n+](cn2)CC(=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: 12.9349 ± 0.0005 Å
• b: 21.0223 ± 0.0009 Å
• c: 13.1337 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3571.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No