(P)-chloridobis[(S)-(+)-5-(3,5-dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)dibenz[b,f]azepine]iridium(I)-benzene-pentane (1/1/1) | 1313372-21-2

• 英文名称: (P)-chloridobis[(S)-(+)-5-(3,5-dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)dibenz[b,f]azepine]iridium(I)-benzene-pentane (1/1/1)
• CAS: 1313372-21-2
• 化学式: C₅H₁₂*C₆H₆*C₆₈H₄₄ClIrN₂O₄P₂
• 分子量: 1392.99
• InChiKey: VCAOMORZKTWSPK-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  苯 、 正戊烷 、 5-((11bS)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-5H-dibenzo[b,f]azepine 、 chlorobis(cyclooctene)-iridium(I) dimer 以 正戊烷 、 苯 为溶剂， 以74%的产率得到(P)-chloridobis[(S)-(+)-5-(3,5-dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)dibenz[b,f]azepine]iridium(I)-benzene-pentane (1/1/1)
  参考文献：
  名称：

  An optically pure P–alkene-ligated Ir^Icomplex

  摘要：

  The asymmetric unit of (P)-chloridobis[(S)-(+)-5-(3,5-dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)dibenz[b,f]azepine]iridium(I)-benzene-pentane (1/1/1), [IrCl(C(34)H(22)NO(2)P)(2)]center dot C(6)H(6)center dot C(5)H(12), contains two formula units. The two symmetry-independent molecules of the Ir complex have similar conformations and approximate C (2) symmetry, with small deviations arising from slightly different puckering of the seven-membered dioxaphosphacycloheptadiene rings. The Ir atoms have trigonal-bipyramidal coordination geometry, with the P atoms in axial positions. The steric strain of the bidentate coordination of the P-alkene ligand through its P and alkene C atoms causes the N atom to have pyramidal geometry, compared with the trigonal-planar geometry observed in the free ligand. The coordination also results in an anti conformation of the binaphthyl and alkene groups within the P-alkene ligand.

  DOI：

  10.1107/s0108270110036413