Information card for entry 7016413

Structure parameters

• Formula: C16 H28 Cl4 Hg N2 O3
• Calculated formula: C16 H28 Cl4 Hg N2 O3
• SMILES: c1(cc(ccc1)C[NH+]1CCOCC1)C[NH+]1CCOCC1.Cl[Hg](Cl)([Cl-])[Cl-].O
• Title of publication: Organomercury(ii) and tellurium(ii) compounds with the "pincer" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.
• Authors of publication: Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8830 - 8838
• a: 7.7037 ± 0.0005 Å
• b: 16.965 ± 0.0012 Å
• c: 17.1737 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.5 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No