Information card for entry 2017826

Structure parameters

• Chemical name: [(<i>E</i>)-4-Allyl-1-(2-oxidobenzylidene)thiosemicarbazidato- κ^3^<i>O</i>,<i>N</i>^1^,<i>S</i>][(<i>Z</i>)-4-allyl-2-(2- hydroxybenzylidene)thiosemicarbazide-κ<i>S</i>]copper(II) monohydrate
• Formula: C22 H26 Cu N6 O3 S2
• Calculated formula: C22 H26 Cu N6 O3 S2
• Title of publication: The first square-planar copper(II) 1:2 complex with differently coordinated 2-hydroxybenzaldehyde 4-allylthiosemicarbazone ligands
• Authors of publication: Bon, Vladimir V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m300 - m302
• a: 25.763 ± 0.003 Å
• b: 8.5526 ± 0.0009 Å
• c: 24.496 ± 0.003 Å
• α: 90°
• β: 116.458 ± 0.003°
• γ: 90°
• Cell volume: 4832.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes