Pub Date : 2022-03-10DOI: 10.2116/xraystruct.38.37
R. Mitsuhashi, S. Hosoya, Takayoshi Suzuki, M. Mikuriya
were collected by filtration. The crystal data are listed in Table 1. X-ray crystallographic data were collected on a Bruker smart APEX CCD diffractometer at 90 K. The The crystal structure of tris{2-(2-imidazolyl)phenolato}iron(III), which was synthesized by a reaction of Fe(BF 4 ) 2 ·6H 2 O and 2-(2-imidazolyl)phenolate in methanol, was determined by X-ray crystallography. The compound crystallized in the trigonal space group R -3 and Z = 6 with cell parameters a = 15.830(3)Å, c = 19.973(4)Å, V = 4334.4(18)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1005, respectively, for all 2337 independent reflections. The iron atom is coordinated by three 2-(2-imdazolyl)phenolato ligands in a facial N 3 O 3 configuration, where the solvent methanol molecules are hydrogen-bonded to the phenolato-oxygen atoms.
{"title":"High-Spin Iron(III) Complex with 2-(2-Imidazolyl)phenolate","authors":"R. Mitsuhashi, S. Hosoya, Takayoshi Suzuki, M. Mikuriya","doi":"10.2116/xraystruct.38.37","DOIUrl":"https://doi.org/10.2116/xraystruct.38.37","url":null,"abstract":"were collected by filtration. The crystal data are listed in Table 1. X-ray crystallographic data were collected on a Bruker smart APEX CCD diffractometer at 90 K. The The crystal structure of tris{2-(2-imidazolyl)phenolato}iron(III), which was synthesized by a reaction of Fe(BF 4 ) 2 ·6H 2 O and 2-(2-imidazolyl)phenolate in methanol, was determined by X-ray crystallography. The compound crystallized in the trigonal space group R -3 and Z = 6 with cell parameters a = 15.830(3)Å, c = 19.973(4)Å, V = 4334.4(18)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0385 and 0.1005, respectively, for all 2337 independent reflections. The iron atom is coordinated by three 2-(2-imdazolyl)phenolato ligands in a facial N 3 O 3 configuration, where the solvent methanol molecules are hydrogen-bonded to the phenolato-oxygen atoms.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":"1 1","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"67671477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-03-10DOI: 10.2116/xraystruct.38.41
Yudai Kokubun, Ryusei Hoshikawa, R. Mitsuhashi, H. Sakiyama
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.
{"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":"https://doi.org/10.2116/xraystruct.38.41","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":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48774208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-03-10DOI: 10.2116/xraystruct.38.53
Yoshimi Ichimaru, Koichi Kato, K. Sugiura, Chisa Hirata, Wanchun Jin, H. Fujioka, H. Kurosaki, T. Koike
{"title":"Crystal Structure of [{<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)}<sub>3</sub>(μ<sub>2</sub>-CO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](ClO<sub>4</sub>)<sub>8</sub>·<i>n</i>H<sub>2</sub>O","authors":"Yoshimi Ichimaru, Koichi Kato, K. Sugiura, Chisa Hirata, Wanchun Jin, H. Fujioka, H. Kurosaki, T. Koike","doi":"10.2116/xraystruct.38.53","DOIUrl":"https://doi.org/10.2116/xraystruct.38.53","url":null,"abstract":"","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46093483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-10DOI: 10.2116/xraystruct.38.19
Junya Sugiyama, Ko Yoneda, Y. Yamada, Masayuki Koikawa
{"title":"Synthesis and Crystal Structure of a Dinuclear Cu(II) Complex with N,N,N′,N′-Tetrakis(2-pyridylmethyl)-1,4-xylenediamine","authors":"Junya Sugiyama, Ko Yoneda, Y. Yamada, Masayuki Koikawa","doi":"10.2116/xraystruct.38.19","DOIUrl":"https://doi.org/10.2116/xraystruct.38.19","url":null,"abstract":"","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49066527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-02-10DOI: 10.2116/xraystruct.38.27
Shinsaku. Yamazaki, Y. Sunatsuki, Tsutomu Mizuta, T. Yonemura
{"title":"Crystal Structure of a 1,3-Diyne Iron Complex, [(η5-Cp)2Fe2(μ-CO) (CO) {μ, η1: η1: η2-(C=O) C (C6H5)=C–C≡CC6H5)}]·0.5 (C2H4Cl2), Formed by C–C Bond Coupling with Carbon Monoxide","authors":"Shinsaku. Yamazaki, Y. Sunatsuki, Tsutomu Mizuta, T. Yonemura","doi":"10.2116/xraystruct.38.27","DOIUrl":"https://doi.org/10.2116/xraystruct.38.27","url":null,"abstract":"","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46157746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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