Information card for entry 7226661

Structure parameters

• Formula: C35 H31 N7 O6 S2 Sn
• Calculated formula: C35 H31 N7 O6 S2 Sn
• SMILES: c1cc(C2=N[N]3=C(C)c4[n]5[Sn]63(O2)(c2ccccc2)(c2ccccc2)[N](=C(C)c5ccc4)N=C(c2c(cccc2)S(=O)(=O)N)O6)c(cc1)S(=O)(=O)N
• 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: 14.6879 ± 0.0003 Å
• b: 18.3871 ± 0.0004 Å
• c: 12.6439 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3414.71 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No