Information card for entry 4511528

Structure parameters

• Formula: C12 H13 Br Cu N2 O3
• Calculated formula: C12 H13 Br 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: 9.5793 ± 0.0008 Å
• b: 6.404 ± 0.0005 Å
• c: 10.7646 ± 0.0009 Å
• α: 90°
• β: 100.534 ± 0.001°
• γ: 90°
• Cell volume: 649.23 ± 0.09 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: 0.0334
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No