Information card for entry 8103352

Structure parameters

• Formula: C20 H20 Br4 N2 O2 Zn
• Calculated formula: C20 H20 Br4 N2 O2 Zn
• SMILES: [Zn]12([N](=Cc3c(O1)c(Br)cc(Br)c3)C(C)C)[N](=Cc1c(O2)c(Br)cc(Br)c1)C(C)C
• Title of publication: Crystal structure of bis(3,5-dibromo-N-isopropylsalicylaldiminato-k2N,O)zinc(II), Zn(C10H10Br2NO)2
• Authors of publication: Mingxia Guo; Tifeng Shen; Yingjie Cai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 140
• a: 9.911 ± 0.004 Å
• b: 13.316 ± 0.005 Å
• c: 19.908 ± 0.008 Å
• α: 73.054 ± 0.007°
• β: 76.083 ± 0.007°
• γ: 81.981 ± 0.007°
• Cell volume: 2432.7 ± 1.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1318
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0885
• 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