indium(III) thiocyanate | 2768-97-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: indium(III) thiocyanate
• 英文别名: indium isothiocyanate；indium thiocyanate；thiocyanic acid ; indium(III)-thiocyanate；Thiocyansaeure; Indium(III)-thiocyanat
• CAS: 2768-97-0
• 化学式: 3CNS*In
• 分子量: 289.071
• InChiKey: JEGVLENOUMXWOC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.37
• 重原子数：
  4.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Na[Mo(CO)3(cyclopentadienyl)] 、 indium(III) thiocyanate 以 四氢呋喃 为溶剂， 以42%的产率得到
  参考文献：
  名称：

  Synthetic and structural studies on organotransition metal-indium thiocyanate complexes

  摘要：

  The reaction between In(NCS)(3) and two equivalents of Na[Mo(CO)(3)(eta-C5H5)] afforded the indium thiocyanate complex [In(NCS){Mo(CO)(3)(eta-C5H5)}(2)] (2). The complexes [In(NCS){Fe(CO)(2)(eta-C5H5)}(2)] (3) and [In(NCS){W(CO)(3)(eta-C5H5)}(2)] (4) were prepared similarly. The reaction between 2 and OPPh(3) afforded the complex [In(NCS)(OPPh(3)){Mo(CO)(3)(eta-C5H5)}(2)] (5) and that between 3 and 4-picoline afforded [In(NCS)(4-picoline){Fe(CO)(2)(eta-C5H5)}(2)] (6) both of which were characterized by X-ray crystallography. In 5 and 6, the indium centres are four-coordinate with a distorted tetrahedral coordination geometry and the thiocyanate groups are bonded through the nitrogen atom. The reaction between 2 and [K(18-crown-6)][SCN] affords the ionic complex [K(18-crown-6)][In(NCS)(2){Mo(CO)(3)(eta-C5H5)}(2)] (7) which has also been characterized by X-ray crystallography.

  DOI：

  10.1016/0277-5387(94)00250-i
• 作为产物：
  描述：

  indium perchlorate octahydrate 、 sodium thiocyanide 以 N,N-二甲基甲酰胺 为溶剂， 生成 indium(III) thiocyanate
  参考文献：
  名称：

  Samoilenko, V. M.; Garbuz, S. V.; Movchan, O. G., Ukrainskij Khimicheskij Zhurnal, 1988, vol. 54/4, p. 1 - 4

  摘要：

  DOI：

文献信息

• Synthesis, structure, and thermal decomposition of [H2(4,4′-Bipy)][In(H2O)2(NCS)4]2 and [HUr]2[In(H2O)(NCS)5] · 2H2O
  作者：S. P. Petrosyants、A. B. Ilyukhin、V. A. Ketsko

  DOI：10.1134/s0036023608060119

  日期：2008.6

  The reaction of indium thiocyanate with bipyridine (4,4-Bipy) and urotropine (Ur) gave [H-2(4,4'-Bipy)][In(H2O)(2)(NCS)(4)](2) (I) and [HUr](2)[In(H2O)(NCS)(5)] center dot 2H(2)O (II), which were identified using elemental analysis, IR spectra, and thermogravimetric analysis. The thermal decomposition of compound I and II ends at 650 and 640 degrees C, respectively, and gives In2O3. X-Ray diffraction analysis of compound I showed that complex anions in the crystal form chains through O-H center dot center dot center dot S hydrogen bonds. The anion chains form a close packing of columns with bipyridine cations located in the voids.
• Two Anionic Indium(III)–Thiocyanate Complexes with Potassium-Centred Complex Cations
  作者：C. J. Carmalt、W. Clegg、M. R. J. Elsegood、B. O. Kneisel、N. C. Norman

  DOI：10.1107/s0108270195000527

  日期：1995.7.15

  Crystallization of the product of the reaction between impure samples of In(NCS)(3), prepared from InCl3 and KSCN, and 2,2'-bipyridyl (bipy) in tetrahydrofuran solution gave the complex pentakis(tetrahydrofural)-potassium (2,2'-bipyridyl)tetrakis(isothiocyanato)indate-(III), [K(C4H8O)(5)][In(NCS)(4)(C10H8N2)], composed of a potassium cation coordinated by five thf ligands and one S atom of a thiocyanate group, and an octahedral indium-centred anion in which the bipy N atoms are cis and the four thiocyanates are bonded to indium through their N atoms. Crystallization of samples of impure In(NCS)(3) from pyridine in the presence of 18-crown-6 gave the compound (1,4,7,10,13,16-hexaoxacyclooctadecane)potassium bis(pyridine)tetrakis(isothiocyanato)-indate(III) pyridine solvate, [K(C12H24O6)][In(NCS)(4)-(C5H5N)(2)].2C(5)H(5)N, containing an octahedral indium-centred anion in which the pyridine ligands are trans. The potassium in both complexes arises from the contamination of In(NCS)(3) by the KSCN used in its preparation.