Information card for entry 7225177

Structure parameters

• Formula: C11 H19 N5 O3 Sn
• Calculated formula: C11 H19 N5 O3 Sn
• SMILES: [Sn]([OH2])(OC(=O)CCn1cnc2c1nc(nc2)N)(C)(C)C
• Title of publication: Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine
• Authors of publication: Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4807
• a: 10.7847 ± 0.0006 Å
• b: 7.4633 ± 0.0004 Å
• c: 19.1432 ± 0.001 Å
• α: 90°
• β: 100.684 ± 0.001°
• γ: 90°
• Cell volume: 1514.11 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No