A new compound in the BEDT-TTF family [BEDT-TTF = bis­(ethyl­enedi­thio)­tetra­thia­fulvalene] with a tetra­thio­cyanato­cuprate(II) anion, (BEDT-TTF)4[Cu(NCS)4]

Faulmann C.; Cormary B.; Valade L.; Jacob K.; de Caro D.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >A new compound in the BEDT-TTF family [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] with a tetrathiocyanatocuprate(II) anion, (BEDT-TTF)4[Cu(NCS)4]

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A new compound in the BEDT-TTF family [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] with a tetrathiocyanatocuprate(II) anion, (BEDT-TTF)4[Cu(NCS)4]

机译：BEDT-TTF家族中的新化合物[BEDT-TTF =双（亚乙基二硫代）四硫富瓦烯]与四硫氰酸根合铜（II）阴离子（BEDT-TTF）4 [Cu（NCS）4]

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A new phase combining BEDT-TTF and [Cu(NCS)4]2– as the counter-anion, namely bis[bis(ethylenedithio)tetrathiafulvalenium] tetrathiocyanatocuprate(II) bis[bis(ethylenedithio)tetrathiafulvalene], (C10H8S8)2[Cu(NCS)4]·2C10H8S8 or (BEDT-TTF)4[Cu(NCS)4] was obtained during a galvanostatic electrocrystallization process. As previously observed with BEDT-TTF-based compounds with oxalatometallate anions, the BEDT-TTF molecules in (BEDT-TTF)4[Cu(NCS)4] exhibit the so-called pseudo-κ arrangement, with two BEDT-TTF molecules being positively charged and two electronically neutral. The bond lengths and angles in the two unique BEDT-TTF molecules differ slightly. The crystal structure consists of layers of BEDT-TTF molecules extending parallel to (001). The width of this layer corresponds to the length of the a axis [16.9036 (17) Å]. The BEDT-TTF layers are separated by layers of centrosymmetric square-planar [Cu(NCS)4]2– dianions.

机译：结合了BEDT-TTF和[Cu（NCS）4] 2–作为抗衡阴离子的新相，即双[双（亚乙基二硫代）四硫富瓦烯鎓]四硫氰酸根合铜酸酯（II）双[双（亚乙基二硫代）四硫富瓦烯]，（C10H8S8）2 [在恒电流电结晶过程中获得了Cu（NCS）4]·2C10H8S8或（BEDT-TTF）4 [Cu（NCS）4]。如先前使用含草酸金属阴离子的基于BEDT-TTF的化合物观察到的那样，（BEDT-TTF）4 [Cu（NCS）4]中的BEDT-TTF分子表现出所谓的拟κ排列，其中两个BEDT-TTF分子为带正电的，两个电子中性的。两个独特的BEDT-TTF分子中的键长和键角略有不同。晶体结构由平行于（001）延伸的BEDT-TTF分子层组成。该层的宽度对应于a轴的长度[16.9036（17）Å]。 BEDT-TTF层由中心对称的方形[Cu（NCS）4] 2-阴离子层分隔。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第12期|共4页
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Faulmann C.; Cormary B.; Valade L.; Jacob K.; de Caro D.;
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中图分类晶体学;
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CRYSTAL STRUCTUREBEDT-TTFCU(NCS)2SUPERCONDUCTORPSEUDO-KAPPA ARRANGEMENT;

机译：晶体结构BEDT-TTFCU（NCS）2SUPERCONDUCTORPSEUDO- [KAPPA]布置;

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1. Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ2-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate [J] . Golichenko A.A., Kravchenko A.V., Omelchenko I.V., Acta Crystallographica Section E: Crystallographic Communications . 2016,第5期

机译：双（亚乙基二硫代）四硫代富勒烯μμ2-乙酰基-双[三溴高or酸酯（III）] 1,1,2-三氯乙烷半溶剂化物的晶体结构
2. Ethylenediammonium sodium tetrakis[bis(ethylenediamine-κ2N,N′)(oxalato-κ2O1,O2)cobalt(III)] [pentahydrogen di(phosphatooctadecatungstate)] tetradecahydrate [J] . Wang J., Xu Y., Zhang S. Acta Crystallographica Section E: Crystallographic Communications . 2013,第11期

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3. Crystal structures of {μ2-N,N′-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate and {μ2-N,N′-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(di-n-propylcarbamodithioato)dizinc(II) [J] . Arman H.D., Poplaukhin P., Tiekink E.R.T. Acta Crystallographica Section E: Crystallographic Communications . 2017,第10期

机译：{μ2-N，N'-双[（吡啶-3-基）甲基]乙二酰胺}四（二甲基氨基甲硫代氨基）二嗪（II）二甲基甲酰胺的晶体结构和{μ2-N，N'-双[（吡啶-3- （基）甲基]乙二酰胺}四（二正丙基氨基甲硫代氨基）二嗪（II）
4. A new compound in the BEDT-TTF family BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene with a tetrathiocyanatocuprate(II) anion (BEDT-TTF)4Cu(NCS)4 [O] . Christophe Faulmann, Benoît Cormary, Lydie Valade, 2018

机译：BEDT-TTF家族中的一种新化合物BEDT-TTF =双（乙基二烯二硫基）四噻吩富勒烯与四硫氰酸氰基酸盐（II）阴离子（BEDT-TTF）4 Cu（NCS）4
5. Isotope effect study of {kappa}-(BEDT-TTF){sub 2}Cu(NCS){sub 2}: Labeling in the anion [O] . Kini, A.M., Wang, H.H., Schlueter, J.A. 1995

机译：{kappa} - （BEDT-TTF）{sub 2} Cu（NCs）{sub 2}的同位素效应研究：阴离子中的标记
6. Isotope effect study of (kappa)-(BEDT-TTF)(sub 2)Cu(NCS)(sub 2): Labeling in the anion [R] . Kini, A. M. , Wang, H. H. , Schlueter, J. A. 1995

机译：（kappa） - （BEDT-TTF）（sub 2）Cu（NCs）（sub 2）的同位素效应研究：阴离子中的标记

A new compound in the BEDT-TTF family [BEDT-TTF = bis­(ethyl­enedi­thio)­tetra­thia­fulvalene] with a tetra­thio­cyanato­cuprate(II) anion, (BEDT-TTF)4[Cu(NCS)4]

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A new compound in the BEDT-TTF family [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] with a tetrathiocyanatocuprate(II) anion, (BEDT-TTF)4[Cu(NCS)4]