Information card for entry 7042078

Structure parameters

• Formula: C19 H19 F6 Hg N O S
• Calculated formula: C19 H19 F6 Hg N O S
• SMILES: c1(c(cccc1)CN(C)C)[S]1CC(C(F)(F)F)(C(F)(F)F)O[Hg]1c1ccccc1
• Title of publication: Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.
• Authors of publication: Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3179 - 3191
• a: 5.5944 ± 0.0019 Å
• b: 11.113 ± 0.004 Å
• c: 17.803 ± 0.006 Å
• α: 74.157 ± 0.006°
• β: 85.854 ± 0.006°
• γ: 78.605 ± 0.005°
• Cell volume: 1043.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No