Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]

The title centrosymmetric bimetallic complex, [Cu2(C 2H3O2)4(C6H 6N2O)4], is composed of two copper(II) cations, four acetate anions and four isonicotinamide (INA) ligands. The asymmetric unit contains one copper cation to which two acetate units bind asymmetrically; one of the Cu - O distances is r...

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Autores principales: Perec, M., Baggio, R.
Formato: JOUR
Materias:
Data-to-parameter ratio = 15.3
Mean σ(C-C) = 0.004 Å
R factor = 0.039
Single-crystal X-ray study
T = 294 K
WR factor = 0.099
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_16005368_v66_n3_pm275_Perec
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_16005368_v66_n3_pm275_Perec2023-10-03T16:27:45Z Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)] Perec, M. Baggio, R. Data-to-parameter ratio = 15.3 Mean σ(C-C) = 0.004 Å R factor = 0.039 Single-crystal X-ray study T = 294 K WR factor = 0.099 The title centrosymmetric bimetallic complex, [Cu2(C 2H3O2)4(C6H 6N2O)4], is composed of two copper(II) cations, four acetate anions and four isonicotinamide (INA) ligands. The asymmetric unit contains one copper cation to which two acetate units bind asymmetrically; one of the Cu - O distances is rather long [2.740 (2) Å], almost at the limit of coordination. These Cu - O bonds define an equatorial plane to which the Cu - N bonds to the INA ligands are almost perpendicular, the Cu - N vectors subtending angles of 2.4 (1) and 2.3 (1)° to the normal to the plane. The metal coordination geometry can be described as a slightly distorted trigonal bipyramid if the extremely weak Cu - O bond is disregarded, or as a highly distorted square bipyramid if it is not. The double acetate bridge between the copper ions is not coplanar with the CuO4 equatorial planes, the dihedral angle between the (O - C - O)2 and O - Cu - O groups being 34.3 (1)°, resulting in a sofa-like conformation for the 8-member bridging loop. In the crystal, N - H⋯O hydrogen bonds occur, some of which generate a head-to tail-linkage between INA units, giving raise to chains along [101]; the remaining ones make inter-chain contacts, defining a three-dimensional network. There are in addition a number of C - H⋯O bonds involving aromatic H atoms. Probably due to steric hindrance, the aromatic rings are not involved in significant π⋯π inter-actions. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_16005368_v66_n3_pm275_Perec
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Data-to-parameter ratio = 15.3
Mean σ(C-C) = 0.004 Å
R factor = 0.039
Single-crystal X-ray study
T = 294 K
WR factor = 0.099
spellingShingle Data-to-parameter ratio = 15.3
Mean σ(C-C) = 0.004 Å
R factor = 0.039
Single-crystal X-ray study
T = 294 K
WR factor = 0.099
Perec, M.
Baggio, R.
Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]
topic_facet Data-to-parameter ratio = 15.3
Mean σ(C-C) = 0.004 Å
R factor = 0.039
Single-crystal X-ray study
T = 294 K
WR factor = 0.099
description The title centrosymmetric bimetallic complex, [Cu2(C 2H3O2)4(C6H 6N2O)4], is composed of two copper(II) cations, four acetate anions and four isonicotinamide (INA) ligands. The asymmetric unit contains one copper cation to which two acetate units bind asymmetrically; one of the Cu - O distances is rather long [2.740 (2) Å], almost at the limit of coordination. These Cu - O bonds define an equatorial plane to which the Cu - N bonds to the INA ligands are almost perpendicular, the Cu - N vectors subtending angles of 2.4 (1) and 2.3 (1)° to the normal to the plane. The metal coordination geometry can be described as a slightly distorted trigonal bipyramid if the extremely weak Cu - O bond is disregarded, or as a highly distorted square bipyramid if it is not. The double acetate bridge between the copper ions is not coplanar with the CuO4 equatorial planes, the dihedral angle between the (O - C - O)2 and O - Cu - O groups being 34.3 (1)°, resulting in a sofa-like conformation for the 8-member bridging loop. In the crystal, N - H⋯O hydrogen bonds occur, some of which generate a head-to tail-linkage between INA units, giving raise to chains along [101]; the remaining ones make inter-chain contacts, defining a three-dimensional network. There are in addition a number of C - H⋯O bonds involving aromatic H atoms. Probably due to steric hindrance, the aromatic rings are not involved in significant π⋯π inter-actions.
format JOUR
author Perec, M.
Baggio, R.
author_facet Perec, M.
Baggio, R.
author_sort Perec, M.
title Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]
title_short Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]
title_full Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]
title_fullStr Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]
title_full_unstemmed Di-μ-acetato-bis-[(acetato-κ2 O,O')bis- (isonicotinamide-κN)copper(II)]
title_sort di-μ-acetato-bis-[(acetato-κ2 o,o')bis- (isonicotinamide-κn)copper(ii)]
url http://hdl.handle.net/20.500.12110/paper_16005368_v66_n3_pm275_Perec
work_keys_str_mv AT perecm dimacetatobisacetatok2oobisisonicotinamidekncopperii
AT baggior dimacetatobisacetatok2oobisisonicotinamidekncopperii
_version_ 1807316508915793920

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