Information card for entry 4511527

Structure parameters

• Formula: C12 H13 Cl Cu N2 O3
• Calculated formula: C12 H13 Cl Cu N2 O3
• Title of publication: Solvated Square-Planar Ternary Copper(II) Complexes: Solvent-Dependent Zipper and Columnar Structures
• Authors of publication: Das, Sunirban; Maloor, Simi Alathady; Pal, Satyanarayan; Pal, Samudranil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2103
• a: 9.5269 ± 0.0007 Å
• b: 6.4027 ± 0.0005 Å
• c: 10.5813 ± 0.0008 Å
• α: 90°
• β: 99.913 ± 0.001°
• γ: 90°
• Cell volume: 635.8 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No