| 85764-02-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 85764-02-9
• 化学式: C₂₄H₄₅P₂Re
• 分子量: 581.776
• InChiKey: MFHPCNCAJFLBQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  六氟磷酸银 、 在 cycloocta-1,5-diene 作用下， 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Connelly, Neil G.; Howard, Judith A.K.; Spencer, John L., Journal of the Chemical Society, Dalton Transactions, 1984, p. 2003 - 2010

  摘要：

  DOI：
• 作为产物：
  描述：

  在 LiAlH₄ 作用下， 以 四氢呋喃 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Connelly, Neil G.; Howard, Judith A.K.; Spencer, John L., Journal of the Chemical Society, Dalton Transactions, 1984, p. 2003 - 2010

  摘要：

  DOI：

文献信息

• Low-temperature neutron diffraction study of [ReH₅(PPh^<i>i</i>Pr₂)₂(SiHPh₂)₂] and low-temperature X-ray diffraction study of [ReH₅(PCyp₃)₂(SiH₂Ph)₂]
  作者：J. A. K. Howard、P. A. Keller、T. Vogt、A. L. Taylor、N. D. Dix、J. L. Spencer

  DOI：10.1107/s0108768191014428

  日期：1992.8.1

  Crystals of bis[diisopropyl(phenyl)phosphine]bis(di-phenylsilyl)pentahydridorhenium [ReH5(PPhiPr2)2(SiHPh2)2] (I) grow as transparent prisms from n-hexane in the space group P1BAR. M(r) = 946.38, a = 11.879 (1), b = 16.754 (1), c = 12.637 (1) angstrom, alpha = 96.824(3), beta = 116.169 (3), gamma = 87.313(4)-degrees, U = 2238.8 (6) angstrom3 (15 K), Z = 2, D(x) = 1.41 g cm-3 (293 K), lambda = 1.3168 angstrom (thermal neutrons; Ge monochromator), mu = 2.74 cm-1, F(000) = 208 x 10(13) cm, R = 0.072 (3160 reflections used). Crystals of pentahydridobis(phenylsilyl)bis(tricyclopentylphosphine)-rhenium [ReH5(PCyp3)2(SiH2Ph)2] (II) grow from n-hexane as transparent prisms in the space group P2(1)2(1)2(1). M(r) = 882.38, a = 12.448 (2), b = 17.579 (4), c = 19.433 (4) angstrom, U = 4252 (3) angstrom3 (200 K), Z = 4, D(x) = 1.36 g cm-3 (293 K), lambda = 0.71073 angstrom (X-rays: Mo K-alpha; graphite monochromator), mu = 30.2 cm-1, F(000) = 1832.0, R = 0.041 (6014 reflections used). For (I), the Re-P bond lengths and P-Re-P bond angle are 2.444 (8), 2.444 (7) angstrom and 141.2 (3)-degrees, and the Re-Si bond lengths and Si-Re-Si bond angle are 2.500 (8), 2.510 (9) angstrom and 117.9 (3)-degrees. For (II), the corresponding lengths and angles are 2.439 (1), 2.444 (1) A, 139.5 (1)-degrees and 2.501 (2), 2.490 (2) angstrom, 97.9 (1)-degrees. The closest intramolecular contact between hydride ligands in (1) is 2.002 (29) angstrom, and that between a hydride ligand and a silicon atom is 2.048 (13) angstrom.