Information card for entry 7226582

Structure parameters

• Formula: C22 H37 Cl3 Co N3 S6
• Calculated formula: C22 H37 Cl3 Co N3 S6
• SMILES: [Co]123([S]=C(S1)N1CCC(CC1)C)([S]=C(S2)N1CCC(CC1)C)[S]=C(S3)N1CCC(CC1)C.ClC(Cl)Cl
• 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: 10.2666 ± 0.0002 Å
• b: 12.0914 ± 0.0004 Å
• c: 14.7203 ± 0.0005 Å
• α: 113.488 ± 0.003°
• β: 94.486 ± 0.002°
• γ: 105.773 ± 0.002°
• Cell volume: 1576.39 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No