Information card for entry 2020441

Structure parameters

• Chemical name: Dimethylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-\ yl]benzoato}tin(IV)
• Formula: C30 H28 N4 O6 Sn
• Calculated formula: C30 H28 N4 O6 Sn
• SMILES: [Sn]12(OC(=[O]1)c1c(O)ccc(N=Nc3ccc(cc3)C)c1)(OC(=[O]2)c1c(O)ccc(N=Nc2ccc(cc2)C)c1)(C)C
• Title of publication: π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes
• Authors of publication: Linden, Anthony; Basu Baul, Tushar S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 313 - 325
• a: 10.1883 ± 0.0001 Å
• b: 12.9209 ± 0.0001 Å
• c: 23.0447 ± 0.0002 Å
• α: 102.352 ± 0.0004°
• β: 95.2584 ± 0.0004°
• γ: 104.153 ± 0.0005°
• Cell volume: 2840.09 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0911
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes