Information card for entry 1512410

Structure parameters

• Formula: C13 H12 Cl2 Cu N2 O
• Calculated formula: C13 H12 Cl2 Cu N2 O
• SMILES: [Cu]12(Cl)(Cl)[O](c3c([N]1=Cc1[n]2cccc1)cccc3)C
• Title of publication: Synthesis and characterization of square planar and square pyramidal copper(II) compounds with tridentate Schiff bases: Formation of a molecular zipper via H-bonding interaction
• Authors of publication: Prasanta Kumar Bhaumik; Subrata Jana; Shouvik Chattopadhyay
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 167 - 177
• a: 7.9914 ± 0.0001 Å
• b: 18.2591 ± 0.0003 Å
• c: 9.5695 ± 0.0002 Å
• α: 90°
• β: 91.384 ± 0.001°
• γ: 90°
• Cell volume: 1395.93 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No