Information card for entry 2022354

Structure parameters

• Chemical name: Octabutyltetrakis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propanoato}di-μ~3~-oxido-tetratin(IV)
• Formula: C72 H112 N4 O14 Sn4
• Calculated formula: C72 H112 N4 O14 Sn4
• SMILES: [Sn]123([O]([Sn]45([O]3[Sn]3(OC(=[O]2)CC/N=C/c2c(O)cccc2)([O]4[Sn]2([O]3C(=[O]2)CC/N=C/c2c(O)cccc2)(OC(=[O]5)CC/N=C/c2c(O)cccc2)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)C(=[O]1)CC/N=C/c1c(O)cccc1)(CCCC)CCCC
• Title of publication: Structural diversity among some dialkyltin(IV) benzoate and related derivatives
• Authors of publication: Linden, Anthony; Basu Baul, Tushar S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 209 - 220
• a: 12.0054 ± 0.0003 Å
• b: 14.7309 ± 0.0004 Å
• c: 23.9132 ± 0.0006 Å
• α: 76.3707 ± 0.0018°
• β: 75.5206 ± 0.0016°
• γ: 88.1609 ± 0.0016°
• Cell volume: 3977.81 ± 0.18 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes