Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker
The asymmetric unit of catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-5-carboxybenzene-1,3-dicarboxylato-κ2O1:O3] octahydrate], {[Ni(C9H4O6)(C10H24N4)]·8H2O}n (I), consists of a macrocyclic Ni2+ cation, a carboxylate dianion and eight highly disordered water molecules...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989022009860 |
| _version_ | 1797984351283052544 |
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| author | Sergey P. Gavrish Sergiu Shova Yaroslaw D. Lampeka |
| author_facet | Sergey P. Gavrish Sergiu Shova Yaroslaw D. Lampeka |
| author_sort | Sergey P. Gavrish |
| collection | DOAJ |
| description | The asymmetric unit of catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-5-carboxybenzene-1,3-dicarboxylato-κ2O1:O3] octahydrate], {[Ni(C9H4O6)(C10H24N4)]·8H2O}n (I), consists of a macrocyclic Ni2+ cation, a carboxylate dianion and eight highly disordered water molecules of crystallization. The components of the compound catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-5-carboxybenzene-1,3-dicarboxylato-κ2O1:O3] monohydrate], {[Ni(C9H4O6)(C10H24N4)]·H2O}n (II), are two crystallographically unique centrosymmetric macrocyclic dications, a carboxylate dianion and one water molecule of crystallization. In each compound, the metal ion is coordinated in the equatorial plane by the four secondary N atoms of the macrocyclic ligand, which adopts the most energetically stable trans-III conformation, and two mutually trans O atoms of the carboxylate anions in a slightly tetragonally distorted trans-NiN4O2 octahedral geometry. The crystals of both compounds are composed of parallel coordination polymeric chains running along the [010] direction in I and the [110] and [1\overline{1}0] directions in II. The bridging carboxylate anions display different modes of coordination connected with the relative orientation of coordinated O atoms, i.e., remote in I and intermediate in II, thus resulting in essentially different distances between the Ni atoms in the chains [11.0657 (4) and 8.9089 (2) Å in I and II, respectively]. As a result of hydrogen-bonding interactions, the chains are joined together in sheets oriented parallel to the (10\overline{1}) and (001) planes in I and II, respectively. |
| first_indexed | 2024-04-11T07:00:57Z |
| format | Article |
| id | doaj.art-4446a7572df646d39d916c7670730d8b |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T07:00:57Z |
| publishDate | 2022-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-4446a7572df646d39d916c7670730d8b2022-12-22T04:38:42ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902022-11-0178111122112610.1107/S2056989022009860hb8040Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linkerSergey P. Gavrish0Sergiu Shova1Yaroslaw D. Lampeka2L. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kyiv, 03028, Ukraine"Petru Poni" Institute of Macromolecular Chemistry, Department of Inorganic Polymers, Aleea Grigore Ghika Voda 41A, RO-700487 Iasi, RomaniaL. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kyiv, 03028, UkraineThe asymmetric unit of catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-5-carboxybenzene-1,3-dicarboxylato-κ2O1:O3] octahydrate], {[Ni(C9H4O6)(C10H24N4)]·8H2O}n (I), consists of a macrocyclic Ni2+ cation, a carboxylate dianion and eight highly disordered water molecules of crystallization. The components of the compound catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-5-carboxybenzene-1,3-dicarboxylato-κ2O1:O3] monohydrate], {[Ni(C9H4O6)(C10H24N4)]·H2O}n (II), are two crystallographically unique centrosymmetric macrocyclic dications, a carboxylate dianion and one water molecule of crystallization. In each compound, the metal ion is coordinated in the equatorial plane by the four secondary N atoms of the macrocyclic ligand, which adopts the most energetically stable trans-III conformation, and two mutually trans O atoms of the carboxylate anions in a slightly tetragonally distorted trans-NiN4O2 octahedral geometry. The crystals of both compounds are composed of parallel coordination polymeric chains running along the [010] direction in I and the [110] and [1\overline{1}0] directions in II. The bridging carboxylate anions display different modes of coordination connected with the relative orientation of coordinated O atoms, i.e., remote in I and intermediate in II, thus resulting in essentially different distances between the Ni atoms in the chains [11.0657 (4) and 8.9089 (2) Å in I and II, respectively]. As a result of hydrogen-bonding interactions, the chains are joined together in sheets oriented parallel to the (10\overline{1}) and (001) planes in I and II, respectively.http://scripts.iucr.org/cgi-bin/paper?S2056989022009860crystal structurecoordination polymerscyclamnickelbenzenetricarboxylatehydrogen bonds |
| spellingShingle | Sergey P. Gavrish Sergiu Shova Yaroslaw D. Lampeka Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker Acta Crystallographica Section E: Crystallographic Communications crystal structure coordination polymers cyclam nickel benzenetricarboxylate hydrogen bonds |
| title | Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker |
| title_full | Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker |
| title_fullStr | Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker |
| title_full_unstemmed | Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker |
| title_short | Syntheses and structural characterizations of the first coordination polymers assembled from the Ni(cyclam)2+ cation and the benzene-1,3,5-tricarboxylate linker |
| title_sort | syntheses and structural characterizations of the first coordination polymers assembled from the ni cyclam 2 cation and the benzene 1 3 5 tricarboxylate linker |
| topic | crystal structure coordination polymers cyclam nickel benzenetricarboxylate hydrogen bonds |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989022009860 |
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