Information card for entry 4507642

Structure parameters

• Formula: C64 H104 N20 O10 Sn4
• Calculated formula: C64 H104 N20 O10 Sn4
• SMILES: c1nc2c(ncn2CCC(=O)O[Sn]2(OC(=[O][Sn]3([O]2[Sn]2(OC(=[O][Sn](OC(=O)CCn4c5c(c(ncn5)N)nc4)([O]32)(CCCC)CCCC)CCn2c3c(c(ncn3)N)nc2)(CCCC)CCCC)(CCCC)CCCC)CCn2cnc3c2ncnc3N)(CCCC)CCCC)c(n1)N
• Title of publication: Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies
• Authors of publication: Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1665
• a: 11.648 ± 0.005 Å
• b: 12.78 ± 0.005 Å
• c: 14.126 ± 0.005 Å
• α: 73.159 ± 0.005°
• β: 69.017 ± 0.005°
• γ: 78.508 ± 0.005°
• Cell volume: 1868.4 ± 1.3 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: 0.0334
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No