Information card for entry 4511530

Structure parameters

• Formula: C13 H13 Br Cu N2 O2
• Calculated formula: C13 H13 Br Cu N2 O2
• 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: 6.8991 ± 0.0017 Å
• b: 9.3473 ± 0.0009 Å
• c: 10.6527 ± 0.0015 Å
• α: 100.277 ± 0.01°
• β: 98.699 ± 0.015°
• γ: 91.912 ± 0.013°
• Cell volume: 666.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No