Information card for entry 4343699

Structure parameters

• Formula: C42 H30 Cl6 N4 Pd2 S4
• Calculated formula: C42 H30 Cl6 N4 Pd2 S4
• SMILES: c12c(cccc2)C=[N]2c3cccc([N]4=Cc5c(S[Pd]64[N](=Cc4c(cccc4)S6)c4cc([N]6=Cc7c(S[Pd]26S1)cccc7)ccc4)cccc5)c3.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 9.8549 ± 0.0004 Å
• b: 10.5969 ± 0.0004 Å
• c: 20.2206 ± 0.0008 Å
• α: 90°
• β: 94.607 ± 0.001°
• γ: 90°
• Cell volume: 2104.84 ± 0.14 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: 0.0537
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No