Information card for entry 2022352

Structure parameters

• Chemical name: Aquadibenzylbis(4-{(<i>E</i>)-[(Z)-4-hydroxypent-3-en-2-ylidene]amino}benzoato)tin(IV) benzene disolvate
• Formula: C50 H52 N2 O7 Sn
• Calculated formula: C38 H40 N2 O7 Sn
• SMILES: [Sn]12([O]=C(O1)c1ccc(N/C(=C\C(=O)C)C)cc1)([O]=C(O2)c1ccc(N/C(=C\C(=O)C)C)cc1)([OH2])(Cc1ccccc1)Cc1ccccc1
• 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: 23.653 ± 0.0005 Å
• b: 10.1034 ± 0.0002 Å
• c: 20.5952 ± 0.0004 Å
• α: 90°
• β: 115.072 ± 0.0012°
• γ: 90°
• Cell volume: 4458.02 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes