Information card for entry 7226660

Structure parameters

• Formula: C39 H37 N9 O6 S2 Sn
• Calculated formula: C39 H37 N9 O6 S2 Sn
• SMILES: c1(ccccc1C1=N[N]2=C(C)c3[n]4[Sn]52(O1)(c1ccccc1)([N](=C(C)c4ccc3)N=C(c1c(cccc1)S(=O)(=O)N)O5)c1ccccc1)S(=O)(=O)N.C(#N)C.C(#N)C
• Title of publication: Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes
• Authors of publication: Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 43
• Pages of publication: 8419
• a: 10.0349 ± 0.0003 Å
• b: 15.1394 ± 0.0005 Å
• c: 26.2883 ± 0.0009 Å
• α: 90°
• β: 97.571 ± 0.002°
• γ: 90°
• Cell volume: 3959 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No