Information card for entry 7012684

Structure parameters

• Formula: C12 H6 F6 Hg N2 S2
• Calculated formula: C12 H6 F6 Hg N2 S2
• SMILES: [Hg]12(Sc3[n]1cccc3C(F)(F)F)Sc1[n]2cccc1C(F)(F)F
• 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: 7.5788 ± 0.0015 Å
• b: 18.8 ± 0.004 Å
• c: 21.479 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3060.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No