trans-[Ru(oxalate)(ethylenediamine)2NO]Cl | 867252-12-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trans-[Ru(oxalate)(ethylenediamine)2NO]Cl
• 英文别名: trans-[Ru(ox)(en)2NO]Cl
• CAS: 867252-12-8
• 化学式: C₆H₁₆N₅O₅Ru*Cl
• 分子量: 374.747
• InChiKey: NLOTUEXXGOGRNA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为反应物：
  描述：

  trans-[Ru(oxalate)(ethylenediamine)2NO]Cl 、 lithium 7,7,8,8-tetracyanoquinodimethane 以 水 为溶剂， 生成 (trans-[Ru(ox)(en)2NO])2(TCNQ)3
  参考文献：
  名称：

  Crystal structure and electrical conductivity of {trans-[Ru(ox)(en)2NO]}2(TCNQ)3 (ox=oxalate, en=ethylenediamine, TCNQ=7,7,8,8-tetracyanoquinodimethane) at ground state

  摘要：

  The radical anion salt of TCNQ (7,7,8,8-tetracyanoquinodimethane) with the trans-[Ru(ox)(en)(2)NO](+) cation (ox=oxalate, en= ethylenediamine), namely {trans-[Ru(ox)(en)(2)NO]}(2)(TCNQ)(3), was synthesized by slow diffusion method from water solution of trans[Ru(ox)(en)(2)NO]Cl and of LiTCNQ. An X-ray structure analysis indicates that the cation: anion ratio of the obtained complex is 2:3. Two of three TCNQ molecules are stacked along the a direction to form columnar structure. Between these columns the remaining TCNQ molecules are inserted with their long molecular axis along a direction. Several -(NHN)-H-...-type hydrogen bonds between nitrile groups of TCNQ molecules and ethylenediamine ligands of trans- [Ru(ox)(en)(2)NO](+) cation, and -(OHN)-H-...-type hydrogen bonds between oxygen atoms of oxalate ligands of trans- [Ru(ox)(en)(2)NO] + cations and ethylenediamine ligands of neighboring trans- [Ru(ox)(en)(2)NO] + cations are observed. The room temperature electrical conductivity of {trans-[Ru(ox)(en)(2)NO]}(2)(TCNQ)(3) is < 10(-6) S cm(-1) (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.05.002