Information card for entry 7226659

Structure parameters

• Formula: C25 H29 N7 O7 S2 Sn
• Calculated formula: C25 H29 N7 O7 S2 Sn
• SMILES: [Sn]1234(OC(=N[N]2=C(C)c2[n]3c(ccc2)C(=[N]4N=C(O1)c1ccccc1S(=O)(=O)N)C)c1c(S(=O)(=O)N)cccc1)(C)C.O
• 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: 14.5188 ± 0.0004 Å
• b: 7.6162 ± 0.0002 Å
• c: 27.7076 ± 0.0007 Å
• α: 90°
• β: 102.505 ± 0.002°
• γ: 90°
• Cell volume: 2991.17 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No