Self-assembly of the cyclic dimer [Cu(hfac)2(bpmu)]2 (bpmu = N,N′-bis(3-pyridylmethyl)urea; Hfac = hexafluoroacetylacetonate ion) using coordination chemistry and predictable OC(N-H)2⋯O=C hydrogen bonds

Inorganic Chemistry Communications

Volumn 8, Issue 6, 2005, Pages 568-573

  Granifo, Juan ^a   Garland, María T ^b   Baggio, Ricardo ^c  

^a UNIVERSIDAD DE LA FRONTERA   (Chile)

^b DEPARTAMENTO DE FÍSICA   (Chile)

^c DEPARTAMENTO DE FÍSICA   (Argentina)

Author keywords

Dimeric copper(II) complexes; Hydrogen bonded assembly; N,N bis(3 pyridylmethyl)urea; Polypyridine complexes; Supramolecular chemistry

Indexed keywords

EID: 18844443694     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2005.03.018     Document Type: Article

References (32)

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23. 5: C, 38.37; H, 2.24; N, 7.78. Found: C, 38.37; H, 2.70; N, 7.54.
24. eq(Host)] . All calculations to solve the structures, refine the models proposed and obtain derived results were carried out with the computer programs SHELXS97 and SHELXL97 [27] and SHELXTL/PC [28]. Full use of the CCDC package was also made for searching in the CSD Database [29]. Crystallographic data (excluding structure factors) have been deposited with the Cambridge Crystallographic Data Centre as supplementary publications No. CCDC 259383 Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK. fax: +44 1223 336 033; e-mail: deposit@ccdc.cam.ac.uk.
25. Bruker SMART-NT V5.624. Data collection software 2001 Siemens Analytical X-ray Instruments Inc. Madison, WI, USA
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27. G.M. Sheldrick SHELXS-97 and SHELXL-97. Programs for structure resolution and refinement 1997 Univ. of Göttingen Germany
28. G.M. Sheldrick SHELXTL-PC. version 5.0 Siemens 1994 Analytical X-ray Instruments Inc. Madison, WI, USA
29. F.H. Allen Acta Cryst. B 58 2002 380 388
30. Hydrogen bonds N-H⋯O (Å and °): N(2D)-H(2DA) ⋯O(1C) [d(N-H) = 0.86, d(H⋯O) = 2.04, d(N⋯O) = 2.816(5),∠(NHO) = 149.4], N(2C)-H(2CA)⋯O(1D)# [d(N-H) = 0.86, d(H⋯O) = 2.09, d(N⋯O) = 2.826(5),∠(NHO) = 143.5]. Symmetry transformations used to generate equivalent atoms: #2 x, y - 1, z. Values involving calculated hydrogens quoted without esd's.
31. Hydrogen bonds C-H⋯F (Å and °): C(3A)-H(3AA) ⋯F(1A5)#3 [d(C-H) = 0.93, d(H⋯F) = 2.64, d(C⋯F) = 3.37(2),∠(CHF) = 136.5], C(6C)-H(6CA)⋯F(1A2)#2 [d(C-H) = 0.97, d(H⋯F) = 2.56, d(C⋯F) = 3.44(5),∠(CHF) = 151.4], C(3D)-H(3DA)⋯F(1B6)#4 [d(C-H) = 0.93, d(H⋯F) = 2.35, d(C⋯F) = 3.27(2),∠(CHF) = 172.2], C(2D)-H(2DB)⋯F(5A4)#5 [d(F-H) = 0.93, d(H⋯F) = 2.52, d(C⋯F) = 3.11(3),∠(CHF) = 122.1]. Symmetry transformations used to generate equivalent atoms: #2 x, y - 1, z #3 -x + 1/2, y + 1/2, -z + 1/2 and #4 x - 1/2, y + 1/2, z #5 -x, -y + 1, -z. Values involving calculated hydrogens quoted without esd's.
32. X. Zhao, Y.-L. Chang, F.W. Fowler, and J.W. Lauher J. Amer. Chem. Soc. 112 1990 6627