guanidinium trichlorostannate | 952290-18-5

• 英文名称: guanidinium trichlorostannate
• CAS: 952290-18-5
• 化学式: CH₆N₃*Cl₃Sn
• 分子量: 285.148
• InChiKey: ADZJYAZFOPQZST-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  盐酸胍 、 tin(ll) chloride 以 水 为溶剂， 生成 guanidinium trichlorostannate
  参考文献：
  名称：

  Crystal structure and phase transitions in perovskite-like C(NH2)3SnCl3

  摘要：

  X-ray single-crystal diffraction, high-temperature powder diffraction and differential thermal analysis at ambient and high pressure have been employed to study the crystal structure and phase transitions of guanidinium trichlorostannate, C(NH2)(3)SnCl3. At 295 K the crystal structure is orthorhombic, space group Pbca, Z = 8, a = 7.7506(2) angstrom, b = 12.0958(4) angstrom and e = 17.8049(6) angstrom, solved from single-crystal data. It is perovskite-like with distorted corner-linked SnCl6 octahedra and with ordered guanidinium cations in the distorted cuboctahedral voids. At 400 K the structure shows a first-order order-disorder phase transition. The space group is changed to Pnma with Z = 4, a = 12.1552(2) angstrom, b = 8.8590(2) angstrom and c = 8.0175(1) angstrom, solved from powder diffraction data and showing disordering of the guanidinium cations. At 419 K, the structure shows yet another first-order order disorder transformation with disordering of the SnCl3- part. The space group symmetry is maintained as Pnma, with a = 12.1786(2) angstrom, b = 8.8642(2) angstrom and c = 8.0821(2) angstrom. The thermodynamic parameters of these transitions and the p-T phase diagram have been determined and described. (C) 2007 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2007.05.024