Information card for entry 2239800

Structure parameters

• Common name: Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate
• Chemical name: Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate
• Formula: C18 H20 Cl4 N2 O2 Zn
• Calculated formula: C18 H20 Cl4 N2 O2 Zn
• SMILES: c1cc2ccccc2c[nH+]1.O.Cl[Zn](Cl)([Cl-])[Cl-].c1cc2ccccc2c[nH+]1.O
• Title of publication: Bis(isoquinolin-2-ium) tetrachloridozincate dihydrate
• Authors of publication: Govindan, Elumalai; Thirumurugan, Subramani; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m303
• a: 11.4337 ± 0.0005 Å
• b: 9.916 ± 0.0005 Å
• c: 19.1544 ± 0.0011 Å
• α: 90°
• β: 100.12 ± 0.006°
• γ: 90°
• Cell volume: 2137.87 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes