Information card for entry 4502510

Structure parameters

• Formula: C16 H17 Br2 Cu N7 O2
• Calculated formula: C16 H17 Br2 Cu N7 O2
• Title of publication: Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand†
• Authors of publication: Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1715
• a: 16.1956 ± 0.0011 Å
• b: 8.0533 ± 0.0005 Å
• c: 14.7916 ± 0.0009 Å
• α: 90°
• β: 97.113 ± 0.001°
• γ: 90°
• Cell volume: 1914.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No