Information card for entry 7034965

Structure parameters

• Formula: C13 H8 Br3 Cu N2 O
• Calculated formula: C13 H8 Br3 Cu N2 O
• Title of publication: Crystal structures of benzoxazolyl-copper(iii,ii,i) complexes and investigation of Cu(ii)-mediated aryl carbon-hydrogen bromination.
• Authors of publication: Wang, Lianke; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9921 - 9926
• a: 4.043 ± 0.005 Å
• b: 14.545 ± 0.005 Å
• c: 12.082 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.877 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 706.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No