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Title: Crystal structures of complexes of the cys-syn-cys isomer of dicyclohexano-18-crown-6 with oxonium hexafluorotantalate and oxonium hexafluoroniobate

Abstract

The crystal structures of [(cys-syn-cys-dicyclohexano-18-crown-6 . H{sub 3}O)][TaF{sub 6}] and [(cys-syn-cys-dicyclohexano-18-crown-6 . H{sub 3}O)][NbF{sub 6}] complex compounds are determined using X-ray diffraction analysis. The tantalum complex has two polymorphic modifications, namely, the monoclinic (I) and triclinic (II) modifications. The unit cell parameters of these compounds are as follows: a = 8.507(4) A, b = 11.947(5) A, c = 27.392(12) A, {beta} = 93.11(1) deg., Z = 4, and space group P2{sub 1}/n for modification I; and a = 10.828(1) A, b = 11.204(1) A, c = 12.378(1) A, {alpha} = 72.12(1) deg., {beta} = 79.40(1) deg., {gamma} = 73.70(1) deg., Z = 2, and space group P-1 for modification II. The triclinic niobium complex [(cys-syn-cys-dicyclohexano-18-crown-6 . H{sub 3}O)][NbF{sub 6}] (III) with the unit cell parameters a = 10.796(3) A, b = 11.183(3) A, c = 12.352(3) A, {alpha} = 72.364(5) deg., {beta} = 79.577(5) deg., {gamma} = 73.773(4) deg., Z = 2, and space group P-1 is isostructural with tantalum complex II. The structures of all three complexes are ionic in character. The oxonium cation in complexes I-III is encapsulated by the crown ether and thus forms one ordinary and two bifurcated hydrogen bonds with the oxygen atoms of themore » crown ether. This macrocyclic cation is bound to the anions through the C-H...F contacts (H...F, 2.48-2.58 A). The conformation of the macrocycle in complex I differs substantially from that in complex II (III)« less

Authors:
 [1]; ;  [2];  [3]; ;  [4];  [5];  [6];  [7]
  1. Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of), E-mail: fonari.xray@phys.asm.md
  2. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation), E-mail: furm@ns.crys.ras.ru
  3. Russian Academy of Sciences, Nesmeyanov Institute of Organoelement Compounds (Russian Federation)
  4. Tamkang University, Department of Chemistry (China)
  5. Ministry of Education and Science and National Academy of Sciences of Ukraine, Odessa State Environmental University (Ukraine), E-mail: edganin@yahoo.com
  6. Academy of Sciences of Ukraine, Physicochemical Institute for Human and Environmental Protection, Ministry of Education and Science and National (Ukraine), E-mail: eksvar@ukr.net
  7. Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of)
Publication Date:
OSTI Identifier:
21090946
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 52; Journal Issue: 2; Other Information: DOI: 10.1134/S1063774507020150; Copyright (c) 2007 Nauka/Interperiodica; Article Copyright (c) 2007 Pleiades Publishing, Inc; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CROWN ETHERS; ISOMERS; MONOCLINIC LATTICES; NIOBIUM COMPLEXES; SPACE GROUPS; TANTALUM COMPLEXES; X-RAY DIFFRACTION

Citation Formats

Fonari, M. S., Alekseeva, O. A., Furmanova, N. G., Lysenko, K. A., Wang, Wen-Jwu, Tang, Shang-Wei, Ganin, E. V., Gel'mbol'dt, V. O., and Simonov, Yu. A. Crystal structures of complexes of the cys-syn-cys isomer of dicyclohexano-18-crown-6 with oxonium hexafluorotantalate and oxonium hexafluoroniobate. United States: N. p., 2007. Web. doi:10.1134/S1063774507020150.
Fonari, M. S., Alekseeva, O. A., Furmanova, N. G., Lysenko, K. A., Wang, Wen-Jwu, Tang, Shang-Wei, Ganin, E. V., Gel'mbol'dt, V. O., & Simonov, Yu. A. Crystal structures of complexes of the cys-syn-cys isomer of dicyclohexano-18-crown-6 with oxonium hexafluorotantalate and oxonium hexafluoroniobate. United States. doi:10.1134/S1063774507020150.
Fonari, M. S., Alekseeva, O. A., Furmanova, N. G., Lysenko, K. A., Wang, Wen-Jwu, Tang, Shang-Wei, Ganin, E. V., Gel'mbol'dt, V. O., and Simonov, Yu. A. Thu . "Crystal structures of complexes of the cys-syn-cys isomer of dicyclohexano-18-crown-6 with oxonium hexafluorotantalate and oxonium hexafluoroniobate". United States. doi:10.1134/S1063774507020150.
@article{osti_21090946,
title = {Crystal structures of complexes of the cys-syn-cys isomer of dicyclohexano-18-crown-6 with oxonium hexafluorotantalate and oxonium hexafluoroniobate},
author = {Fonari, M. S. and Alekseeva, O. A. and Furmanova, N. G. and Lysenko, K. A. and Wang, Wen-Jwu and Tang, Shang-Wei and Ganin, E. V. and Gel'mbol'dt, V. O. and Simonov, Yu. A.},
abstractNote = {The crystal structures of [(cys-syn-cys-dicyclohexano-18-crown-6 . H{sub 3}O)][TaF{sub 6}] and [(cys-syn-cys-dicyclohexano-18-crown-6 . H{sub 3}O)][NbF{sub 6}] complex compounds are determined using X-ray diffraction analysis. The tantalum complex has two polymorphic modifications, namely, the monoclinic (I) and triclinic (II) modifications. The unit cell parameters of these compounds are as follows: a = 8.507(4) A, b = 11.947(5) A, c = 27.392(12) A, {beta} = 93.11(1) deg., Z = 4, and space group P2{sub 1}/n for modification I; and a = 10.828(1) A, b = 11.204(1) A, c = 12.378(1) A, {alpha} = 72.12(1) deg., {beta} = 79.40(1) deg., {gamma} = 73.70(1) deg., Z = 2, and space group P-1 for modification II. The triclinic niobium complex [(cys-syn-cys-dicyclohexano-18-crown-6 . H{sub 3}O)][NbF{sub 6}] (III) with the unit cell parameters a = 10.796(3) A, b = 11.183(3) A, c = 12.352(3) A, {alpha} = 72.364(5) deg., {beta} = 79.577(5) deg., {gamma} = 73.773(4) deg., Z = 2, and space group P-1 is isostructural with tantalum complex II. The structures of all three complexes are ionic in character. The oxonium cation in complexes I-III is encapsulated by the crown ether and thus forms one ordinary and two bifurcated hydrogen bonds with the oxygen atoms of the crown ether. This macrocyclic cation is bound to the anions through the C-H...F contacts (H...F, 2.48-2.58 A). The conformation of the macrocycle in complex I differs substantially from that in complex II (III)},
doi = {10.1134/S1063774507020150},
journal = {Crystallography Reports},
number = 2,
volume = 52,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2007},
month = {Thu Mar 15 00:00:00 EDT 2007}
}