{"title":"聚[[tetra-aqua(μ3-4-hy-droxy-pyridine-2, 6-di-carboxyl-ato) di -μ2-oxalato-dipraseodymium (III)] 4.29水合物]。","authors":"Aaqib Khurshid, Apinpus Rujiwatra, Thammanoon Chuasaard","doi":"10.1107/S2414314625004560","DOIUrl":null,"url":null,"abstract":"<p><p>The coordination polymer of crystal formula [Pr<sup>III</sup> <sub>2</sub>(C<sub>7</sub>H<sub>2</sub>NO<sub>5</sub>)(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·4.29H<sub>2</sub>O or [Pr<sup>III</sup> <sub>2</sub>(HCAM)(ox)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·4.29H<sub>2</sub>O was synthesized from praseodymium(III) nitrate in water using chelidamic acid (H<sub>3</sub>CAM) and oxalic acid (H<sub>2</sub>ox). There are two Pr<sup>III</sup> atoms in the asymmetric unit. One metal ion has nine-fold coordination from one pyridyl nitro-gen and eight oxygen atoms from one HCAM<sup>2-</sup>, two ox<sup>2-</sup>, and two coordinating water mol-ecules leading to the formation of a tricapped trigonal {Pr<sup>III</sup>NO<sub>8</sub>} prism. The other metal ion is coordinated by ten oxygen atoms from two HCAM<sup>2-</sup>, two ox<sup>2-</sup>, and two coordinating water mol-ecules, forming a bicapped square {Pr<sup>III</sup>O<sub>10</sub>} unit. The HCAM<sup>2-</sup> linker has a μ<sub>2</sub>-κ<sup>2</sup>:κ<sup>1</sup> chelating coordination mode <i>via</i> its carboxyl-ates and N-pyridyl donors, linking the {Pr<sup>III</sup>NO<sub>8</sub>} and {Pr<sup>III</sup>O<sub>10</sub>} units into infinite chains. The μ<sub>2</sub>-κ<sup>1</sup>:κ<sup>1</sup>:κ<sup>1</sup>:κ<sup>1</sup> bridging carboxyl-ates of the ox<sup>2-</sup> linkers connect adjacent chains into sheets in the <i>ac</i> plane. Adjacent layers further aggregate through inter-molecular hydrogen bonding, most of which involves the water mol-ecules of crystallization, and π-π inter-actions to form a tri-periodic supra-molecular framework. Some of the co-crystallizing water mol-ecules as well as one of the metal-coordinating water mol-ecules are disordered.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 Pt 5","pages":"x250456"},"PeriodicalIF":0.0000,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142396/pdf/","citationCount":"0","resultStr":"{\"title\":\"Poly[[tetra-aqua-(μ<sub>3</sub>-4-hy-droxy-pyridine-2,6-di-carboxyl-ato)di-μ<sub>2</sub>-oxalato-dipraseodymium(III)] 4.29-hydrate].\",\"authors\":\"Aaqib Khurshid, Apinpus Rujiwatra, Thammanoon Chuasaard\",\"doi\":\"10.1107/S2414314625004560\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The coordination polymer of crystal formula [Pr<sup>III</sup> <sub>2</sub>(C<sub>7</sub>H<sub>2</sub>NO<sub>5</sub>)(C<sub>2</sub>O<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·4.29H<sub>2</sub>O or [Pr<sup>III</sup> <sub>2</sub>(HCAM)(ox)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·4.29H<sub>2</sub>O was synthesized from praseodymium(III) nitrate in water using chelidamic acid (H<sub>3</sub>CAM) and oxalic acid (H<sub>2</sub>ox). There are two Pr<sup>III</sup> atoms in the asymmetric unit. One metal ion has nine-fold coordination from one pyridyl nitro-gen and eight oxygen atoms from one HCAM<sup>2-</sup>, two ox<sup>2-</sup>, and two coordinating water mol-ecules leading to the formation of a tricapped trigonal {Pr<sup>III</sup>NO<sub>8</sub>} prism. The other metal ion is coordinated by ten oxygen atoms from two HCAM<sup>2-</sup>, two ox<sup>2-</sup>, and two coordinating water mol-ecules, forming a bicapped square {Pr<sup>III</sup>O<sub>10</sub>} unit. The HCAM<sup>2-</sup> linker has a μ<sub>2</sub>-κ<sup>2</sup>:κ<sup>1</sup> chelating coordination mode <i>via</i> its carboxyl-ates and N-pyridyl donors, linking the {Pr<sup>III</sup>NO<sub>8</sub>} and {Pr<sup>III</sup>O<sub>10</sub>} units into infinite chains. The μ<sub>2</sub>-κ<sup>1</sup>:κ<sup>1</sup>:κ<sup>1</sup>:κ<sup>1</sup> bridging carboxyl-ates of the ox<sup>2-</sup> linkers connect adjacent chains into sheets in the <i>ac</i> plane. Adjacent layers further aggregate through inter-molecular hydrogen bonding, most of which involves the water mol-ecules of crystallization, and π-π inter-actions to form a tri-periodic supra-molecular framework. Some of the co-crystallizing water mol-ecules as well as one of the metal-coordinating water mol-ecules are disordered.</p>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"10 Pt 5\",\"pages\":\"x250456\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-05-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12142396/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2414314625004560\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/5/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314625004560","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/5/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
The coordination polymer of crystal formula [PrIII2(C7H2NO5)(C2O4)2(H2O)4]·4.29H2O or [PrIII2(HCAM)(ox)2(H2O)4]·4.29H2O was synthesized from praseodymium(III) nitrate in water using chelidamic acid (H3CAM) and oxalic acid (H2ox). There are two PrIII atoms in the asymmetric unit. One metal ion has nine-fold coordination from one pyridyl nitro-gen and eight oxygen atoms from one HCAM2-, two ox2-, and two coordinating water mol-ecules leading to the formation of a tricapped trigonal {PrIIINO8} prism. The other metal ion is coordinated by ten oxygen atoms from two HCAM2-, two ox2-, and two coordinating water mol-ecules, forming a bicapped square {PrIIIO10} unit. The HCAM2- linker has a μ2-κ2:κ1 chelating coordination mode via its carboxyl-ates and N-pyridyl donors, linking the {PrIIINO8} and {PrIIIO10} units into infinite chains. The μ2-κ1:κ1:κ1:κ1 bridging carboxyl-ates of the ox2- linkers connect adjacent chains into sheets in the ac plane. Adjacent layers further aggregate through inter-molecular hydrogen bonding, most of which involves the water mol-ecules of crystallization, and π-π inter-actions to form a tri-periodic supra-molecular framework. Some of the co-crystallizing water mol-ecules as well as one of the metal-coordinating water mol-ecules are disordered.