Information card for entry 2231604

Structure parameters

• Chemical name: 8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile monosolvate
• Formula: C22 H21 Br2 N3 O2 Zn
• Calculated formula: C22 H21 Br2 N3 O2 Zn
• SMILES: Br[Zn]1(Br)Oc2c3[n]1c(ccc3ccc2)C.Oc1c2[nH+]c(ccc2ccc1)C.N#CC
• Title of publication: 8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate acetonitrile monosolvate
• Authors of publication: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1281
• a: 7.187 ± 0.0003 Å
• b: 9.7795 ± 0.0005 Å
• c: 16.252 ± 0.0007 Å
• α: 86.159 ± 0.004°
• β: 80.775 ± 0.004°
• γ: 85.098 ± 0.004°
• Cell volume: 1121.73 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes