Information card for entry 1513040

Structure parameters

• Common name: 2,2':6',2''-terpyridinium tetrachlorozincate(II)
• Formula: C18 H16 Cl4 N2 O2 Zn
• Calculated formula: C18 H16 Cl4 N2 O2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].Oc1cccc2ccc[nH+]c12.Oc1cccc2ccc[nH+]c12
• 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: 15.177 ± 0.01 Å
• b: 8.099 ± 0.005 Å
• c: 16.636 ± 0.01 Å
• α: 90°
• β: 91.48 ± 0.03°
• γ: 90°
• Cell volume: 2044 ± 2 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: 0.0966
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No