Information card for entry 4512437

Structure parameters

• Formula: C55 H64 N10 O11 Sn2
• Calculated formula: C55 H64 N10 O11 Sn2
• SMILES: [Sn](OC(=[O][Sn](OC(=O)CCn1cnc2cnc(nc12)N)(c1ccccc1)(c1ccccc1)c1ccccc1)CCn1c2nc(ncc2nc1)N)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1.O.OC.O.O.OC.OC
• 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: 9.6511 ± 0.0004 Å
• b: 14.2607 ± 0.0006 Å
• c: 22.0464 ± 0.001 Å
• α: 96.442 ± 0.001°
• β: 100.312 ± 0.001°
• γ: 103.215 ± 0.001°
• Cell volume: 2868.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No