Information card for entry 7012678

Structure parameters

• Formula: C22 H14 F6 N4 S2 Zn
• Calculated formula: C22 H14 F6 N4 S2 Zn
• SMILES: [Zn]123(Sc4[n]1cccc4C(F)(F)F)(Sc1[n]2cccc1C(F)(F)F)[n]1c(c2[n]3cccc2)cccc1
• 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: 8.261 ± 0.004 Å
• b: 13.05 ± 0.007 Å
• c: 13.345 ± 0.007 Å
• α: 67.986 ± 0.008°
• β: 85.496 ± 0.008°
• γ: 82.258 ± 0.008°
• Cell volume: 1321 ± 1.2 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: 0.0961
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No