Information card for entry 7016416

Structure parameters

• Formula: C16 H23 Cl Hg N2 O2
• Calculated formula: C16 H23 Cl Hg N2 O2
• SMILES: c1(c(cccc1CN1CCOCC1)CN1CCOCC1)[Hg]Cl
• 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: 9.7841 ± 0.0008 Å
• b: 10.0718 ± 0.0008 Å
• c: 18.2607 ± 0.0015 Å
• α: 90°
• β: 99.376 ± 0.001°
• γ: 90°
• Cell volume: 1775.4 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No