Information card for entry 7042081

Structure parameters

• Formula: C26 H28 F12 Hg N2 O2 S2
• Calculated formula: C26 H28 F12 Hg N2 O2 S2
• SMILES: [Hg]123([S](CC(O1)(C(F)(F)F)C(F)(F)F)c1c(C[N]2(C)C)cccc1)[S](CC(O3)(C(F)(F)F)C(F)(F)F)c1c(CN(C)C)cccc1
• 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: 10.0125 ± 0.0003 Å
• b: 10.4618 ± 0.0003 Å
• c: 15.7074 ± 0.0003 Å
• α: 91.4789 ± 0.0009°
• β: 96.5048 ± 0.0009°
• γ: 109.043 ± 0.001°
• Cell volume: 1541.82 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0241
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No