Information card for entry 7226581

Structure parameters

• Formula: C13 H17 Hg N S2
• Calculated formula: C13 H17 Hg N S2
• SMILES: [Hg]1(SC(=[S]1)N1CCC(C)CC1)c1ccccc1
• Title of publication: Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties
• Authors of publication: Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 96
• Pages of publication: 93867 - 93880
• a: 8.799 ± 0.005 Å
• b: 15.123 ± 0.009 Å
• c: 11.633 ± 0.007 Å
• α: 90°
• β: 108.238 ± 0.009°
• γ: 90°
• Cell volume: 1470.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No