Information card for entry 1513036

Structure parameters

• Common name: bis(8-aminoquinolinium) tetrachlorozincate(II)
• Formula: C15 H13 Cl4 N3 Zn
• Calculated formula: C15 H13 Cl4 N3 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].n1c(cccc1c1[nH+]cccc1)c1[nH+]cccc1
• Title of publication: Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study
• Authors of publication: Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael
• Journal of publication: Polyhedron
• Year of publication: 2011
• Journal volume: 30
• Pages of publication: 2564
• a: 7.024 ± 0.004 Å
• b: 13.676 ± 0.007 Å
• c: 9.398 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 902.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 44
• Hermann-Mauguin space group symbol: I m m 2
• Hall space group symbol: I 2 -2
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No