Information card for entry 8105139

Structure parameters

• Formula: C20 H16 Cl Cu N3 O4
• Calculated formula: C20 H16 Cl Cu N3 O4
• SMILES: [Cu]12(Oc3c(C=[N]1N=C(O2)c1c(O)ccc(Cl)c1)ccc(OC)c3)[n]1ccccc1
• Title of publication: The crystal structure of (5-chloro-2-hydroxy-N-(4-methoxy-2-oxidobenzylidene)benzohydrazonato-κ3 N,O,O′)-(pyridine-κ1N)copper(II), C20H16ClCuN3O4
• Authors of publication: Xin, Wang; Shuli, Li; Liguo, Yang; Haixiang, Song; Yongsheng, Niu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 457 - 458
• a: 7.629 ± 0.004 Å
• b: 8.893 ± 0.005 Å
• c: 14.193 ± 0.008 Å
• α: 88.603 ± 0.006°
• β: 81.093 ± 0.006°
• γ: 83.715 ± 0.006°
• Cell volume: 945.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0709
• 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: No