OH-O and CH-O hydrogen bonding in hydrated crystals of paramagnetic [(η6-C6H6)2Cr]+

Organometallics

Volumn 15, Issue 4, 1996, Pages 1084-1086

  Braga, Dario ^a   Costa, Anna Luisa ^a   Grepioni, Fabrizia ^a   Scaccianoce, Laura ^a   Tagliavini, Emilio ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001326045     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om950611d     Document Type: Article

References (19)

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10. 2O: C, 52.38; H, 6.96. Found: C, 52.10; H, 6.60.
11. 1(3108 refls) = 0.059, S = 1.106. Common to both species: T = 293(2) K, Mo Kα radiation, λ= 0.710 69 Å; monochromator, graphite; the computer program SHELXL93 (ref 14) was used for structure solution and refinement. All atoms except the hydrogens were treated anisotropically. Methylenic hydrogen atoms of CHD were added in calculated positions (C-H = 0.97 Å); all other hydrogen atoms, except for the water hydrogens, were located directly from final low-θ (<20°) Fourier maps. To evaluate the C-H(benzene)-O bonds, the C-H distances were normalized along the experimentally observed direction to the neutron-derived value of 1.08 Å.
12. (a) Falk, M.; Knop, O. Water. A Comprehensive Treatise; Franks, F., Ed.; Plenum Press: New York, 1973; Vol. 2, p 55.
13. (b) Wells A. F. Structural Inorganic Chemistry; Clarendon Press: Oxford, UK, 1984.
14. Desiraju, G. R. Acc. Chem. Res. 1991, 24, 290.
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17. Braga, D.; Grepioni, F.; Sabatino, P.; Desiraju, G. R. Organometallics 1994, 13, 3532.
18. (b) Braga, D.; Biradha, K.; Grepioni, F.; Pedireddi, V. R.; Desiraju, G. R. J. Am. Chem. Soc. 1995, 117, 3156.
19. Sheldrick, G. M. SHELX93, Program for Crystal Structure Determination; University of Gottingen: Göttingen, Germany, 1993.