Information card for entry 2206458

Structure parameters

• Chemical name: bis(quinolinium) tetrachlorozincate dihydrate
• Formula: C18 H20 Cl4 N2 O2 Zn
• Calculated formula: C18 H20 Cl4 N2 O2 Zn
• SMILES: c1cccc2[nH+]cccc12.O.Cl[Zn](Cl)([Cl-])[Cl-].c1ccc2ccccc2[nH+]1.O
• Title of publication: π‒π Stacking in bis(quinolinium) tetrachlorozincate dihydrate
• Authors of publication: Valdés Martínez, Jesús; Muñoz, Orneli; Toscano, Rubén A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1590 - m1592
• a: 11.7991 ± 0.0009 Å
• b: 10.0206 ± 0.0008 Å
• c: 18.423 ± 0.001 Å
• α: 90°
• β: 101.352 ± 0.002°
• γ: 90°
• Cell volume: 2135.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes