Information card for entry 2227237

Structure parameters

• Chemical name: 8-Hydroxy-2-methylquinolinium diiodido(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zincate(II) methanol monosolvate
• Formula: C21 H22 I2 N2 O3 Zn
• Calculated formula: C21 H22 I2 N2 O3 Zn
• SMILES: I[Zn]1(I)Oc2c3[n]1c(ccc3ccc2)C.Oc1c2[nH+]c(ccc2ccc1)C.OC
• Title of publication: 8-Hydroxy-2-methylquinolinium diiodido(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: m1277
• a: 10.1745 ± 0.0006 Å
• b: 14.6292 ± 0.0009 Å
• c: 16.5321 ± 0.001 Å
• α: 90°
• β: 106.356 ± 0.001°
• γ: 90°
• Cell volume: 2361.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes