Cargando…

Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data

In the asymmetric unit of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(C(2)O(4))(C(10)H(24)N(4))](ClO(4))(2) (C(10)H(24)N(4) = 1,4,8,11-tetra­aza­cyclo­tetra­decane, cyclam; C(2)O(4) = oxalate, ox), there are two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and...

Descripción completa

Detalles Bibliográficos
Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050767/
https://www.ncbi.nlm.nih.gov/pubmed/27746932
http://dx.doi.org/10.1107/S2056989016014134
_version_ 1782457947297677312
author Moon, Dohyun
Choi, Jong-Ha
author_facet Moon, Dohyun
Choi, Jong-Ha
author_sort Moon, Dohyun
collection PubMed
description In the asymmetric unit of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(C(2)O(4))(C(10)H(24)N(4))](ClO(4))(2) (C(10)H(24)N(4) = 1,4,8,11-tetra­aza­cyclo­tetra­decane, cyclam; C(2)O(4) = oxalate, ox), there are two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the Cr(III) ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octa­hedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetra­hedral ClO(4) (−) anion remains outside the coordination sphere. The supra­molecular architecture includes N—H⋯O and N—H⋯Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO(4) (−) anions and one Cl ligand as acceptors, leading to a three-dimensional network structure.
format Online
Article
Text
id pubmed-5050767
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-50507672016-10-14 Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications In the asymmetric unit of the title compound, [CrCl(2)(C(10)H(24)N(4))][Cr(C(2)O(4))(C(10)H(24)N(4))](ClO(4))(2) (C(10)H(24)N(4) = 1,4,8,11-tetra­aza­cyclo­tetra­decane, cyclam; C(2)O(4) = oxalate, ox), there are two independent halves of the [CrCl(2)(cyclam)](+) and [Cr(ox)(cyclam)](+) cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the Cr(III) ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octa­hedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetra­hedral ClO(4) (−) anion remains outside the coordination sphere. The supra­molecular architecture includes N—H⋯O and N—H⋯Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO(4) (−) anions and one Cl ligand as acceptors, leading to a three-dimensional network structure. International Union of Crystallography 2016-09-09 /pmc/articles/PMC5050767/ /pubmed/27746932 http://dx.doi.org/10.1107/S2056989016014134 Text en © Moon and Choi 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Moon, Dohyun
Choi, Jong-Ha
Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
title Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
title_full Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
title_fullStr Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
title_full_unstemmed Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
title_short Crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) (oxalato-κ(2) O (1),O (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)chromium(III) bis(perchlorate) from synchrotron data
title_sort crystal structure of cis-di­chlorido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n)chromium(iii) (oxalato-κ(2) o (1),o (2))(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n)chromium(iii) bis(perchlorate) from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050767/
https://www.ncbi.nlm.nih.gov/pubmed/27746932
http://dx.doi.org/10.1107/S2056989016014134
work_keys_str_mv AT moondohyun crystalstructureofcisdichlorido14811tetraazacyclotetradecanek4nchromiumiiioxalatok2o1o214811tetraazacyclotetradecanek4nchromiumiiibisperchloratefromsynchrotrondata
AT choijongha crystalstructureofcisdichlorido14811tetraazacyclotetradecanek4nchromiumiiioxalatok2o1o214811tetraazacyclotetradecanek4nchromiumiiibisperchloratefromsynchrotrondata