Information card for entry 7012683

Structure parameters

• Formula: C24 H17 Cd F6 N5 S2
• Calculated formula: C24 H17 Cd F6 N5 S2
• SMILES: [Cd]123(Sc4[n]1cccc4C(F)(F)F)(Sc1[n]2cccc1C(F)(F)F)[n]1ccccc1c1[n]3cccc1.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: 13.68 ± 0.003 Å
• b: 9.7564 ± 0.0018 Å
• c: 20.41 ± 0.004 Å
• α: 90°
• β: 90.684 ± 0.003°
• γ: 90°
• Cell volume: 2723.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No