Information card for entry 7225176

Structure parameters

• Formula: C34 H62 N4 O9 Sn2
• Calculated formula: C34 H62 N4 O9 Sn2
• SMILES: [Sn](OC(=O)C1NC(=O)NC(=O)C=1)([OH2])(CCCC)(CCCC)CCCC.[Sn](OC(=O)C1NC(=O)NC(=O)C=1)(CCCC)(CCCC)CCCC
• 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: 16.6335 ± 0.0008 Å
• b: 18.0945 ± 0.0009 Å
• c: 15.1131 ± 0.0008 Å
• α: 90°
• β: 111.797 ± 0.001°
• γ: 90°
• Cell volume: 4223.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No