Information card for entry 7012680

Structure parameters

• Formula: C26 H17 F6 N5 S2 Zn
• Calculated formula: C26 H17 F6 N5 S2 Zn
• SMILES: [Zn]123(Sc4[n]1cccc4C(F)(F)F)(Sc1[n]2cccc1C(F)(F)F)[n]1cccc2c1c1[n]3cccc1cc2.N#CC
• Title of publication: Electrochemical synthesis and structural characterisation of zinc, cadmium and mercury complexes of heterocyclic bidentate ligands (N, S)
• Authors of publication: Sousa-Pedrares, Antonio; Romero, Jaime; Arturo García-Vázquez, José; Luz Durán, María; Casanova, Isabel; Sousa, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1379 - 1388
• a: 11.0734 ± 0.0017 Å
• b: 11.1806 ± 0.0017 Å
• c: 11.8543 ± 0.0018 Å
• α: 92.975 ± 0.002°
• β: 108.253 ± 0.002°
• γ: 102.908 ± 0.002°
• Cell volume: 1346.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No