Yudai Kokubun, Ryusei Hoshikawa, R. Mitsuhashi, H. Sakiyama
{"title":"单核铁（III）配合物六（二甲基甲酰胺-κO）铁（Ⅲ）三（六氟磷酸盐）的晶体结构","authors":"Yudai Kokubun, Ryusei Hoshikawa, R. Mitsuhashi, H. Sakiyama","doi":"10.2116/xraystruct.38.41","DOIUrl":null,"url":null,"abstract":"A mononuclear iron(III) complex, [Fe(dmf ) 6 6 3 [hexakis(dimethylformamide- κ O )iron(III) tris(hexafluoridophosphate)], was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the triclinic space group P 1 and Z = 2 with cell parameters a = 11.9608(3)Å, b = 13.1544(4)Å, c = 13.4260(3)Å, α = 81.340(2) ° , β = 81.572(2) ° , γ = 65.340(3) ° , and V = 1889.61(10)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0556 and 0.1515, respectively, for all 19173 independent reflections. The structure of the complex cation can be approximated as the S 6 symmetry, but the cations are compressed due to the crystal packing.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":null,"pages":null},"PeriodicalIF":0.1000,"publicationDate":"2022-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylformamide-κO)iron(III) Tris(hexafluoridophosphate)\",\"authors\":\"Yudai Kokubun, Ryusei Hoshikawa, R. Mitsuhashi, H. Sakiyama\",\"doi\":\"10.2116/xraystruct.38.41\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A mononuclear iron(III) complex, [Fe(dmf ) 6 6 3 [hexakis(dimethylformamide- κ O )iron(III) tris(hexafluoridophosphate)], was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the triclinic space group P 1 and Z = 2 with cell parameters a = 11.9608(3)Å, b = 13.1544(4)Å, c = 13.4260(3)Å, α = 81.340(2) ° , β = 81.572(2) ° , γ = 65.340(3) ° , and V = 1889.61(10)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0556 and 0.1515, respectively, for all 19173 independent reflections. The structure of the complex cation can be approximated as the S 6 symmetry, but the cations are compressed due to the crystal packing.\",\"PeriodicalId\":23922,\"journal\":{\"name\":\"X-ray Structure Analysis Online\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.1000,\"publicationDate\":\"2022-03-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"X-ray Structure Analysis Online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2116/xraystruct.38.41\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"X-ray Structure Analysis Online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2116/xraystruct.38.41","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal Structure of a Mononuclear Iron(III) Complex, Hexakis(dimethylformamide-κO)iron(III) Tris(hexafluoridophosphate)
A mononuclear iron(III) complex, [Fe(dmf ) 6 6 3 [hexakis(dimethylformamide- κ O )iron(III) tris(hexafluoridophosphate)], was synthesized, and characterized by a single-crystal X-ray method. The compound crystallized in the triclinic space group P 1 and Z = 2 with cell parameters a = 11.9608(3)Å, b = 13.1544(4)Å, c = 13.4260(3)Å, α = 81.340(2) ° , β = 81.572(2) ° , γ = 65.340(3) ° , and V = 1889.61(10)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0556 and 0.1515, respectively, for all 19173 independent reflections. The structure of the complex cation can be approximated as the S 6 symmetry, but the cations are compressed due to the crystal packing.
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