Information card for entry 7226579

Structure parameters

• Formula: C50 H54 Ag2 N2 P2 S4
• Calculated formula: C50 H54 Ag2 N2 P2 S4
• SMILES: C1CN(C2[S]3[Ag]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S](C(N5CCC(C)CC5)=[S]4)[Ag]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]=2)CCC1C
• 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: 10.538 ± 0.0005 Å
• b: 10.8294 ± 0.0006 Å
• c: 11.2159 ± 0.0006 Å
• α: 78.167 ± 0.005°
• β: 84.072 ± 0.004°
• γ: 77.604 ± 0.005°
• Cell volume: 1221.2 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No