Information card for entry 4507641

Structure parameters

• Formula: C48 H90 N10 O8 Sn4
• Calculated formula: C48 H90 N10 O8 Sn4
• SMILES: c1nc(c2c(n1)n(cn2)CCC(=O)O[Sn]1(CCCC)([OH][Sn]2([O]1[Sn]1([OH][Sn](OC(=O)CCn3c4c(c(ncn4)N)nc3)([O]21)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)CCCC)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: 10.903 ± 0.005 Å
• b: 11.744 ± 0.005 Å
• c: 12.783 ± 0.006 Å
• α: 104.306 ± 0.006°
• β: 102.13 ± 0.005°
• γ: 101.758 ± 0.005°
• Cell volume: 1493.1 ± 1.2 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: 0.0755
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No