Information card for entry 2227236

Structure parameters

• Chemical name: 8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate(II) methanol monosolvate
• Formula: C21 H22 Br2 N2 O3 Zn
• Calculated formula: C21 H22 Br2 N2 O3 Zn
• SMILES: Br[Zn]1(Br)Oc2c3[n]1c(ccc3ccc2)C.Oc1c2[nH+]c(ccc2ccc1)C.OC
• Title of publication: 8-Hydroxy-2-methylquinolinium dibromido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate(II) methanol monosolvate
• Authors of publication: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1276
• a: 9.9704 ± 0.0008 Å
• b: 13.9954 ± 0.0011 Å
• c: 15.8815 ± 0.0012 Å
• α: 90°
• β: 105.815 ± 0.001°
• γ: 90°
• Cell volume: 2132.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes