Cr(carbonyl)5(As4S3) | 1197984-96-5

• 英文名称: Cr(carbonyl)5(As4S3)
• 英文别名: Cr(CO)5(As4S3)
• CAS: 1197984-96-5
• 化学式: C₅As₄CrO₅S₃
• 分子量: 587.932
• InChiKey: TVGPXHQGVJLMHU-HFIZVTBBSA-N

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：
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反应信息

• 作为反应物：
  描述：

  Cr(carbonyl)5(As4S3) 以 甲苯 为溶剂， 生成 arsenic sulphide 、 arsenic sulphide 、 arsenic sulphide 、 uzonite 、 realgar
  参考文献：
  名称：

  Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As₄S₄, PAs₃S₃, and Cu(I) Halide Building Blocks

  摘要：

  Realgar, As4S4, reacts with Cr(CO)(5)THF under cage degradation to give As4S3 center dot Cr(CO)(5) (1). The reverse structural change is found if solutions of 1 in CH2Cl2 react with equimolar amounts of PAs3S3 center dot W(CO)(5) and CuX (X = Cl, Br, I) in CH3CN under biphasic diffusion conditions. The resulting coordination polymers 2-4 contain a reconstituted realgar molecule along with the PAs3S3 cage. The crystal structures of (CuX)(As4S4)(PAs3S3) (X = Cl: 2; Br: 3) are characterized by one-dimensional (1D) (CuX)(As4S4) strands, which are formed by alternating As4S4 cages and CuX dumbbells. Terminal PAs3S3 molecules are coordinated to copper by apical phosphorus and bridging realgar through sulfur. The As-3 triangles of the resulting (CuX)(As4S4)(PAs3S3) strands interact with halides of neighbored strands to give a folded three-dimensional (3D) network. The structure of (CuI)(3)(As4S4)(PAs3S3) (4) contains 1D (Cu3I3) strands as backbones, which are bridged by sulfur atoms of two eta(1:2)-As4S4 molecules while PAs3S3 confines the resulting sheet. The As-3 triangles at the surface of the layers interact with iodide of the next layer to form a layered 3D network.

  DOI：

  10.1021/ic2018049
• 作为产物：
  描述：

  pentacarbonyl(tetrahydrofuran)chromium(0) 、 realgar 以 四氢呋喃 为溶剂， 以33%的产率得到Cr(carbonyl)5(As4S3)
  参考文献：
  名称：

  Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As₄S₄, PAs₃S₃, and Cu(I) Halide Building Blocks

  摘要：

  Realgar, As4S4, reacts with Cr(CO)(5)THF under cage degradation to give As4S3 center dot Cr(CO)(5) (1). The reverse structural change is found if solutions of 1 in CH2Cl2 react with equimolar amounts of PAs3S3 center dot W(CO)(5) and CuX (X = Cl, Br, I) in CH3CN under biphasic diffusion conditions. The resulting coordination polymers 2-4 contain a reconstituted realgar molecule along with the PAs3S3 cage. The crystal structures of (CuX)(As4S4)(PAs3S3) (X = Cl: 2; Br: 3) are characterized by one-dimensional (1D) (CuX)(As4S4) strands, which are formed by alternating As4S4 cages and CuX dumbbells. Terminal PAs3S3 molecules are coordinated to copper by apical phosphorus and bridging realgar through sulfur. The As-3 triangles of the resulting (CuX)(As4S4)(PAs3S3) strands interact with halides of neighbored strands to give a folded three-dimensional (3D) network. The structure of (CuI)(3)(As4S4)(PAs3S3) (4) contains 1D (Cu3I3) strands as backbones, which are bridged by sulfur atoms of two eta(1:2)-As4S4 molecules while PAs3S3 confines the resulting sheet. The As-3 triangles at the surface of the layers interact with iodide of the next layer to form a layered 3D network.

  DOI：

  10.1021/ic2018049