Information card for entry 7004583

Structure parameters

• Formula: C12 H11 Br2 Cu N3
• Calculated formula: C12 H11 Br2 Cu N3
• Title of publication: Monomeric, dimeric and 1D chain polymeric copper(ii) complexes of a pyrrole-containing tridentate Schiff-base ligand and its 4-brominated analogue
• Authors of publication: Li, Rongqing; Moubaraki, Boujemaa; Murray, Keith S.; Brooker, Sally
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 6014 - 6022
• a: 8.908 ± 0.0008 Å
• b: 6.6637 ± 0.0006 Å
• c: 11.1476 ± 0.001 Å
• α: 90°
• β: 90.789 ± 0.001°
• γ: 90°
• Cell volume: 661.66 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No