Information card for entry 7043259

Structure parameters

• Formula: C24 H30 Cl2 N6 O4 Zn
• Calculated formula: C24 H30 Cl2 N6 O4 Zn
• SMILES: C12CC3CC(C2)[NH]2[Zn]45([NH]1Cc1cccc[n]41)([NH]3Cc1cccc[n]51)[n]1c(C2)cccc1.Cl(=O)(=O)(=O)[O-].[Cl-]
• Title of publication: Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands
• Authors of publication: Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.9 ± 0.0005 Å
• b: 13.9 ± 0.0005 Å
• c: 45.029 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7534.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No