Information card for entry 2243943

Structure parameters

• Chemical name: Bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethane-1,2-diamine)mercury(II)
• Formula: C12 H26 Hg N2 O2 S4
• Calculated formula: C12 H26 Hg N2 O2 S4
• SMILES: C(=S)(OCC)S[Hg]1([N](CC[N]1(C)C)(C)C)SC(=S)OCC
• Title of publication: Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)mercury(II)
• Authors of publication: Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 11
• a: 12.235 ± 0.007 Å
• b: 8.017 ± 0.005 Å
• c: 21.251 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes