X-ray Structure Analysis Online最新文献

{"title":"Mixed-valent Manganese Complex with a Schiff-base Having a Di-μ4-oxido-di-μ3-oxido-di-μ3-carboxylato-hexa-μ-carboxylato-bridged MnII2MnIII6 Core","authors":"M. Mikuriya, Yoshiki Koyama, Chinatsu Kamioka, R. Mitsuhashi, M. Tsuboi","doi":"10.2116/xraystruct.38.33","DOIUrl":"https://doi.org/10.2116/xraystruct.38.33","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":"45061744","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}

{"title":"Synthesis and Crystal Structure of a Mononuclear Cobalt(III) Complex with 2-[(2-Hydroxymethylphenyl)iminomethyl]phenol and Dimethylaminopyridine","authors":"N. Sato, Ko Yoneda, Y. Yamada, Masayuki Koikawa","doi":"10.2116/xraystruct.38.1","DOIUrl":"https://doi.org/10.2116/xraystruct.38.1","url":null,"abstract":"Single-molecule magnets (SMMs) are intensively discussed as high-density storage, quantum computing, or spintronic technology.1–3 We have reported the weak SMM ability of a tetranuclear Co complex, [Co4(L1-H)4Cl2(CH3OH)2], but found that the stability of the complex depends on the coordinating solvent molecules.4 To improve the stability, we are working on the synthesis of new Co complexes in which the coordination solvents are replaced with various monodentate ligands. While an attempt was made to prepare a tetranuclear Co complex coordinated with dmpa, we obtained single crystals of [Co(L1-H)(HL1-H)dmpa]·CH3CN (1). Here, we report on the synthesis and the crystal structure of 1 (Fig. 1). The ligand H2L1-H was obtained by a literature method.5 An acetonitrile solution (10 mL) containing bis(acetylacetonato) diaquacobalt(II) (0.182 g, 0.5 mmol), H2L1-H (0.113 g, 0.5 mmol), and triethylamine (0.055 g, 0.5 mmol) was stirred at ca. 80°C for 30 min. To the obtained solution was added 4-dimethylaminopyridine (0.122 g, 1.0 mmol) with stirring. The orange precipitate was filtered off, and the filtrate was allowed to stand at room temperature. Reddish brown crystals suitable for X-ray analysis were obtained after 3 days. Yield, 0.009 g (3.0%). Measurements were made on a Rigaku VariMax Saturn CCD 724+ diffractometer with graphite-monochromated Mo-Kα radiation at 113 K. An empirical analytical absorption correction was applied. The structure was solved by direct methods (SIR92) and expanded using Fourier techniques. The nonhydrogen atoms were refined anisotropically. The alcoholic hydrogen atom, H3A, was found from Fourier peaks. The other hydrogen atoms were located at the calculated positions and refined using the riding model. The final cycle of a full-matrix least-squares refinement on F2 using SHELXL-2016 was based on observed reflections and variable parameters and converged with unweighted and weighted agreement factors of R1 (0.0483) and wR2 (0.1226).6 Details of the X-ray structure determination are listed in Table 1. An ORTEP drawing of the title complex 1 is shown in Fig. 2, and selected bond lengths and angles are provided in Table 2. The crystal structure of 1 consists of a Co atom, dianionic (L1-H)2–, monoanionic (HL1-H)–, and neutral dmpa ligands. The first ligand, (L1-H)2–, is coordinated to Co1 as a tridentate ligand with mer-manner. This coordination mode is similar to that of Co(III) units in the previously reported [Co4(L1-H)4Cl2(CH3OH)2]. The second ligand, (HL1-H)–, is bound to Co(III) as a bidentate chelate by phenoxo oxygen and imino nitrogen atoms. Only the tridentate coordination mode of (HL1-H)–, such as [Co(HL1-H)2]NO3, has been reported so far. This is the first example of the structurally analyzed bidentate coordination mode of H2L1-H. The remaining coordination site is occupied by the dmpa. The coordination geometry around the central Co atom is an octahedral with mer-N3O3 coordination environment. The bond distances between","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44174323","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}

{"title":"Crystal Structure of Dichloro{2-(quinolin-2-yl)-4H-benzo[d][1,3]oxazine}cobalt(II)","authors":"Fumiya Kanegae, Ko Yoneda, Masayuki Koikawa","doi":"10.2116/xraystruct.38.13","DOIUrl":"https://doi.org/10.2116/xraystruct.38.13","url":null,"abstract":"","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43551728","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}

{"title":"Crystal Structure of a Hydrolyzed Product of the Cobalt(III) Complex with 1-(3,5-Dichlorosalicylideneamino)-3-amino-2-propanol","authors":"M. Mikuriya, Nagisa Tsuchimoto, Yoshiki Koyama, R. Mitsuhashi, M. Tsuboi","doi":"10.2116/xraystruct.38.9","DOIUrl":"https://doi.org/10.2116/xraystruct.38.9","url":null,"abstract":"Much interest has been attracted to the coordination chemistry of potential pentadentate Schiff-base ligands, 1,3-bis(salicylideneamino)-2-propanol (H3bsalpr) and its substituted derivatives, with two phenolato-oxygen, two imino-nitrogen, and one alcoholate-oxygen donor atoms, are of interest. In the crystals, these Schiff-base ligands have intramolecular hydrogen bonds between imino-nitrogen and phenolato-oxygen atoms and intermolecular hydrogen bonds between an alcohol-oxygen atom and a phenolato-oxygen atom of neighboring Schiff-base molecule.1–5 The reaction between these Schiff-base ligands and metal salts generates mononuclear copper(II),6 tetranuclear zinc(II)7 complexes with a tetradentate O, N, N, O-chelate, and dinuclear copper(II),8 nickel(II),9 manganese(III),10,11 and cobalt(III)12, and tetranuclear manganese(II,III)13,14 complexes with a tridentate O, N, O-chelate. Aiming at extending these systems, we decided to prepare a cobalt complex with 1,3-bis(3,5-dichlorosalicylideneamino)-2-propanol (H3bdcsalpr), which has not been reported so far. In this study, we performed a reaction between H3bdcsalpr and cobalt(II) chloride hexahydrate in the presence of triethylamine in acetonitrile, and determined the crystal structure of the isolated complex, which has been found to be a new mononuclear cobalt(III) complex with hydrolyzed Schiff-base ligands, 1-(3,5-dichlorosalicylideneamino)-3-amino-2-propanol (Hdcsalapr–), [Co(Hdcsalapr)2] Cl·2CH3CN·2H2O (1), as depicted in Fig. 1, is different from the expected dinuclear cobalt complexes that we prepared before.12 A Schiff-base ligand, H3bdcsalpr, was synthesized by a similar method to the previously reported one.5 1,3-Diamino-2propanol (0.703 g, 7.8 mmol) and 3,5-dichlorosalicylaldehyde (3.00 g, 15.7 mmol) were dissolved in methanol (70 cm3). The solution was refluxed for 3 h, and then left at room temperature. The resulting yellow precipitate was filtered off, washed with methanol, and dried under a vacuum. Yield, 3.16 g (93%). IR (KBr, cm–1): 3219 (ν(OH)), 3064 (ν(CH(phenyl)), 2951 (νasCH2), 2872 (νsCH2), 1626(νC=N). Single crystals of 1 were obtained as follows: H3bdcsalpr (42.5 mg, 0.1 mmol) was dissolved in acetonitrile (3 mL). To this solution, cobalt(II) chloride hexahydrate (24.0 mg, 0.1 mmol) and six drops of triethylamine were added. The resulting brown solution was filtered after standing for several days to remove a small amount of white precipitate, and then the filtrate was left at room temperature for a further several days to give reddish-brown crystals. Yield, 5.7 mg (7.8% based on the metal salt). Reflectance spectra: λmax 284, 422 (A1g→T2g), 550sh (A1g→T1g), 724 (A1g→T2g) nm. X-ray diffraction data were collected on a Bruker CCD X-ray diffractometer (SMART APEX) using graphite-monochromated Mo-Kα radiation. Crystal data and details concerning the data collection are given in Table 1. The structure was solved by an 2022 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44101099","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}

{"title":"Anionic Favipiravir in Salt-type Cocrystals with Monoethanolamine and Ethylenediamine","authors":"Odil Choriev, J. Ashurov, A. Ibragimov, Sh. M. Turaboev, V. Sabirov","doi":"10.2116/xraystruct.38.15","DOIUrl":"https://doi.org/10.2116/xraystruct.38.15","url":null,"abstract":"Favipiravir (FVR) is an antiviral medication used to treat influenza in Japan (Fig. 1). It is also being studied to treat a number of other viral infections. Like experimental antiviral drugs T-1105 and T-1106, it is a pyrazinecarboxamide derivative.1 It is, however, only indicated for novel influenza (strains that cause more severe disease), rather than seasonal influenza. The mechanism of its actions is thought to be related to the selective inhibition of viral RNA-dependent RNA polymerase.2 The possible tautomerism of FVR has been investigated computationally.3 It was found that the enol-like form was substantially more stable in aqueous solution than the keto-like form, meaning that FVR likely exists almost exclusively in the enol-like form in aqueous solution (Fig. 2). An enol form of FVR was found in the crystal structure of FVR.4 The crystal structure of FVR has been analyzed in silico research for structural analysis of FVR and its activity against COVID-19.5,6 It was found that four tautomeric structures could be considered to be ligands obtained by density functional theory (DFT) calculations. The crystal structures of the cocrystals of many organic compounds with neutral FVR are already known,6,7 but an anionic form of FVR similar to that studied in this work has not yet been known. This is for the first time obtained and crystallographic studied as an anionic form of FVR, which has been obtained using a basic co-former as monoethanolamine (MEA) and ethylendiamine (en). The given results can be used to describe the interaction of FVR with the amino acids of a protein molecule. The purpose of this paper is to study the effects of the salt formation of FVR with the basic molecules MEA and en on its geometric parameters and its conformation. Salts of FVR with MEA (1) and en (2) were prepared by a similar procedure: (1): the reaction of FVR (0.1 mM, 0.157 mg) and MEA (0.1 mM, 6.11 mg), and (2): the reaction of FVR (0.1 mM, 6.11 mg) and en (0.1 mM, 6.01 mg), which were dissolved in ethanol (10 mL). The reaction mixtures were stirred for 15 min at a temperature of ∼60°C. Both crystals were obtained by slow evaporation of the reaction solutions at the room temperature. The hydrogen atoms of the amino groups in both structures were located on a difference-Fourier map, but other hydrogen 2022 © The Japan Society for Analytical Chemistry","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43255778","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}

{"title":"Crystal Structure of 1,3-Bis(3,5-dibromosalicylideneamino)-2-propanol","authors":"M. Mikuriya, Nagisa Tsuchimoto, Yoshiki Koyama, R. Mitsuhashi, M. Tsuboi","doi":"10.2116/xraystruct.38.3","DOIUrl":"https://doi.org/10.2116/xraystruct.38.3","url":null,"abstract":"Schiff-base molecules, 1,3-bis(salicylideneamino)-2-propanol (H3salpr), and their substituted derivatives, are potential pentadentate ligands with two phenolato-oxygen, two iminonitrogen, and one central alcoholate-oxygen donor atoms by deprotonation with coordination to metal atoms. It is known that these Schiff-base ligands form a mononuclear copper(II) complex as a tetradentate O, N, N, O-chelate,1 and dinuclear copper(II),2 nickel(II),3 manganese(III),4 and cobalt(III)5 complexes as tridentate O, N, O-chelates. Previously, we reported on the crystal structures of a monosubstituted Schiffbase ligand, 1,3-bis(5-nitrosalicylideneamino)-2-propanol (H3nsalpr) and a disubstituted Schiff-base ligand, 1,3-bis(5chloro-3-methoxysalicylideneamino)-2-propanol (H3cmsalpr). The former has one nitro group at the salicylideneamino ring, whereas the latter has one chloro group and one methoxy group at the salicylideneamino ring. In this study, we prepared 1,3-bis(3,5-dibromosalicylideneamino)-2-propanol (H3dbsalpr), which has two bromo groups at the salicylideneamino ring (Fig. 1), and determined the crystal structure of H3dbsalpr, which has not been elucidated so far. 1,3-Diamino-2-propanol (0.646 g, 7 mmol) and 3,5-dibromosalicylaldehyde (4.00 g, 14 mmol) were dissolved in methanol (50 cm3)–acetonitrile (10 cm3). The solution was refluxed for 3 h, and then left at room temperature. The resulting yellow precipitate was filtered off, washed with methanol, and dried under a vacuum. Yield, 3.98 g (91%). IR (KBr, cm–1): 3235 (ν(OH)), 3055 (ν(CH(phenyl)), 2925 (νasCH2), 2889 (νsCH2), 1632 (νC=N). X-ray quality crystals were grown by recrystallization from acetonitrile. X-ray diffraction data were collected on a Bruker CCD X-ray diffractometer (SMART APEX) using graphite-monochromated Mo-Kα radiation. Crystal data and details concerning the data collection are given in Table 1. The structure was solved by an intrinsic phasing method with SHELXT-2014, and refined by full-matrix least-squares methods with SHELXL-2018. The hydrogen atoms were inserted at their calculated positions, and fixed there with restraints. The hydrogen atoms at the imino groups were also inserted at the calculated positions because it was difficult to locate the hydrogen atoms from the D-Fourier maps including the phenolate oxygen areas. For thermal anisotropic displacement parameters (ADPs) of most of the carbon atoms, enhanced rigid bond restraints were applied. Crystallographic data have been deposited with Cambridge Crystallographic Data Centre (Deposit number CCDC2091176). Copies of the data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge, CB2 1EZ, UK; Fax, +44 1223 336033; e-mail, deposit@ccdc.cam.ac.uk). In the crystal, the asymmetric unit consists of three independent 1,3-bis(3,5-dibromosalicylideneamino)-2-propanol, H3dbsalpr molecules, like in the case for 1,3-bis(salicy","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45839714","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}

{"title":"Crystal Structure of Pyridin-4-ylmethyl 4-Nitrobenzoate, C13H10N2O4","authors":"James T. P. Matshwele, Sebusi Odisitse, Ofentse Mazimba, F. Nareetsile, Lebogang G Julius, Dalitso Keitumetse","doi":"10.2116/xraystruct.38.7","DOIUrl":"https://doi.org/10.2116/xraystruct.38.7","url":null,"abstract":"placed at geometrically calculated positions and included in the least-squares calculations using the riding-atom model. Their U iso values were fixed at 1.2 U eq of The structure of pyridin-4-ylmethyl 4-nitrobenzoate was determined by the single-crystal X-ray diffraction method. The compound crystallized in a monoclinic system, P 2 1 / n , and the unit cell parameters are, a = 9.981(2), b = 12.347(3), c = 10.161(3)Å, β = 101.450(9), Z = 4, V = 1227.3(5)Å 3 . The crystal structure was solved by intrinsic phasing and refined to final values of R 1 = 0.0451 and wR 2 = 0.1393.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2022-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46762942","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}

{"title":"Synthesis and Crystal Structure of Bis{2-[(2-hydroxymethylphenyl)iminomethyl]-4-nitrophenolato}nickel(II) Monoacetonitrile","authors":"Yuka Mineyama, Ko Yoneda, Y. Yamada, Masayuki Koikawa","doi":"10.2116/xraystruct.37.85","DOIUrl":"https://doi.org/10.2116/xraystruct.37.85","url":null,"abstract":"correction was applied. The structure was solved by direct methods (SIR92) and expanded using Fourier techniques. The non-2021 The title compound, [Ni(HL1–NO 2 ) 2 ]·CH 3 CN, [H 2 L1–NO 2 = 2-[2-(hydroxymethylphenyl)iminomethyl]-4-nitrophenol], was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the triclinic space group P 1 with cell parameters a = 10.556(2)Å, b = 11.779(3)Å, c = 12.247(3)Å, α = 86.412(10) ° , β = 71.135(8) ° , γ = 73.009(8) ° , V = 1377.2(5)Å 3 , D calcd = 1.549 g/cm 3 , Z = 2. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0362 and 0.1024, respectively, for all 5989 independent reflections. The tridentate ligands coordinate to the nickel atom as a mer -manner.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2021-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42340974","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}

{"title":"μ-Phenolato-μ-chlorido-bridged Dinuclear Manganese(II) Complex with a Dinucleating Schiff-base Ligand Having Imidazolyl Groups","authors":"M. Mikuriya, Hitomi Yamada, K. Morita, Ai Shibutani, Eiichi Nagayama, Shinya Minato, D. Yoshioka, M. Tsuboi","doi":"10.2116/xraystruct.37.81","DOIUrl":"https://doi.org/10.2116/xraystruct.37.81","url":null,"abstract":"in A μ -phenolato- μ -chlorido-bridged dinuclear manganese(II) complex with 2,6-bis( N -(4-imidazolylethyl)iminomethyl)-4-methylphenol (Hbimmp), [Mn 2 (bimmp)( μ -Cl)Cl 2 ], was isolated. The crystal structure was determined by a single-crystal X-ray diffraction method at 293 K. The complex crystallizes in the orthorhombic space group F dd2 with a = 40.557(4), b = 9.2353(9), c = 12.5138(2)Å, V = 4687.1(8)Å 3 , D calcd = 1.603 g/cm 3 , Z = 8. The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values are 0.0309 and 0.0826, respectively, for all 2683 independent reflections. The two manganese(II) atoms are bridged by a phenolato-oxygen of bimmp – and a μ -chlorido atom, where each manganese(II) atom is further coordinated by imino- and imidazolyl-nitrogen atoms of bimmp – and chlorido atoms to form a square-pyramidal geometry. (Received","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":" ","pages":""},"PeriodicalIF":0.2,"publicationDate":"2021-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45499315","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}

{"title":"Crystal Structure of Bis{1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-​2-olato-dizinc(II)}orthophosphate Tris(perchlorate) Octahydrate, [(Phos-tag)2-PO43−][ClO4−]3·8H2O","authors":"Yoshimi Ichimaru, Koichi Kato, Wanchun Jin, K. Sugiura, Emiko Kinoshita-Kikuta, E. Kinoshita, H. Kurosaki, T. Koike","doi":"10.2116/xraystruct.37.87","DOIUrl":"https://doi.org/10.2116/xraystruct.37.87","url":null,"abstract":"The crystal structure of bis{1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-olato-dizinc(II)}orthophosphate tris(perchlorate) octahydrate, [(Phos-tag) 2 -PO 43– ][ClO 4– ] 3 ·8H 2 O was determined by the single-crystal X-ray diffraction method at 93.15 K. The titled complex crystallized in the monoclinic space group C 2/c and Z = 4 with a = 16.8423(2), b = 21.3554(2), c = 19.9942(2)Å, β = 106.8690(10) ° , and V = 6881.95(13)Å 3 . The R 1 [ I > 2 σ ( I )] and wR 2 (all data) values were 0.0447 and 0.1142, respectively, for all 6253 independent reflections. In the crystal structure, each zinc(II) ion is coordinated with two pyridyl amines, a tertiary amine, an alkoxide oxygen, and a phosphate oxygen to form a trigonal bipyramidal geometry. The orthophosphate trianion connects two dinuclear zinc(II) complex (Phos-tag) in a μ 4 η 4 bridge mode.","PeriodicalId":23922,"journal":{"name":"X-ray Structure Analysis Online","volume":"1 1","pages":""},"PeriodicalIF":0.2,"publicationDate":"2021-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41530564","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}