Information card for entry 2209327

Structure parameters

• Chemical name: Chloro(2-oxidobenzaldehyde 2-thienylcarbonylhydrazone)copper(II) monohydrate
• Formula: C12 H11 Cl Cu N2 O3 S
• Calculated formula: C12 H11 Cl Cu N2 O3 S
• SMILES: [Cu]12([O]=C(N[N]2=Cc2c(O1)cccc2)c1sccc1)Cl.O
• Title of publication: Chloro(2-oxidobenzaldehyde 2-thienylcarbonylhydrazone)copper(II) monohydrate
• Authors of publication: Yong Lu; Jing Chen; Wen-Shi Wu; Jing-Cao Dai; Jian-Ming Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1291 - m1292
• a: 11.9991 ± 0.0009 Å
• b: 7.1804 ± 0.0005 Å
• c: 16.2195 ± 0.0011 Å
• α: 90°
• β: 92.646 ± 0.003°
• γ: 90°
• Cell volume: 1395.96 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes