Information card for entry 2211795

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^O,O')(4-Hydroxybenzaldehyde thiosemicarbazone-κS)zinc(II)
• Formula: C18 H23 N3 O5 S Zn
• Calculated formula: C18 H23 N3 O5 S Zn
• SMILES: [Zn]12([S]=C(N)N\N=C\c3ccc(cc3)O)([O]=C(C)C=C(C)O1)OC(=CC(C)=[O]2)C
• Title of publication: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-hydroxybenzaldehyde thiosemicarbazone-κ<i>S</i>)zinc(II)
• Authors of publication: Yang, Xue-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m284 - m285
• a: 14.3048 ± 0.0007 Å
• b: 10.1746 ± 0.0005 Å
• c: 29.7259 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4326.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes