Information card for entry 4343698

Structure parameters

• Formula: C46 H42 N6 O2 S4 Zn2
• Calculated formula: C46 H42 N6 O2 S4 Zn2
• SMILES: c12ccccc1C=[N]1c3cccc(c3)[N]3=Cc4c(S[Zn]53[N](=Cc3c(cccc3)S5)c3cccc([N]5[Zn]1(S2)Sc1ccccc1C=5)c3)cccc4.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions.
• Authors of publication: Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7653 - 7659
• a: 10.2801 ± 0.0003 Å
• b: 15.3096 ± 0.0004 Å
• c: 14.2761 ± 0.0004 Å
• α: 90°
• β: 101.907 ± 0.002°
• γ: 90°
• Cell volume: 2198.49 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No