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Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data

The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­decane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the comp...

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Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061105/
https://www.ncbi.nlm.nih.gov/pubmed/33953940
http://dx.doi.org/10.1107/S2056989021001055
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author Moon, Dohyun
Choi, Jong-Ha
author_facet Moon, Dohyun
Choi, Jong-Ha
author_sort Moon, Dohyun
collection PubMed
description The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­decane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octa­hedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups.
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spelling pubmed-80611052021-05-04 Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title complex, cis-[Cr(NCS)(2)(cyclam)]Br (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­decane, C(10)H(24)N(4)), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)(2)(cyclam)](+) cation and one bromide anion. The Cr(III) ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octa­hedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups. International Union of Crystallography 2021-02-02 /pmc/articles/PMC8061105/ /pubmed/33953940 http://dx.doi.org/10.1107/S2056989021001055 Text en © Moon and Choi 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) 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-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
title Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
title_full Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
title_fullStr Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
title_full_unstemmed Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
title_short Crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N)bis­(thio­cyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
title_sort crystal structure of cis-(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) n)bis­(thio­cyanato-κn)chromium(iii) bromide from synchrotron x-ray diffraction data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061105/
https://www.ncbi.nlm.nih.gov/pubmed/33953940
http://dx.doi.org/10.1107/S2056989021001055
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