Acta crystallographica. Section C, Crystal structure communications最新文献_第4页

Calcium and strontium salts of (glycinato-κ(2)N,O)oxidobis(peroxido-κ(2)O,O')vanadate(V) tetrahydrate. (甘氨酸-κ(2)N,O)氧化和(过氧化物-κ(2)O,O')钒酸盐(V)四水合物的钙和锶盐。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-30 DOI: 10.1107/S0108270113031181

Takeshi Higuchi, Ayana Uchida, Masato Hashimoto

引用次数: 0

Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation. 简单二(膦)镍(II)二卤化物配合物的结构、磁性和颜色:实验和理论研究。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-30 DOI: 10.1107/S0108270113030692

Madeleine Schultz, Philipp-Nikolaus Plessow, Frank Rominger, Laura Weigel

{"title":"Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation.","authors":"Madeleine Schultz, Philipp-Nikolaus Plessow, Frank Rominger, Laura Weigel","doi":"10.1107/S0108270113030692","DOIUrl":"https://doi.org/10.1107/S0108270113030692","url":null,"abstract":"The complex [1,2-bis(di-tert-butylphosphanyl)ethane-κ(2)P,P']diiodidonickel(II), [NiI2(C18H40P2] or (dtbpe-κ(2)P)NiI2, [dtbpe is 1,2-bis(di-tert-butylphosphanyl)ethane], is bright blue-green in the solid state and in solution, but, contrary to the structure predicted for a blue or green nickel(II) bis(phosphine) complex, it is found to be close to square planar in the solid state. The solution structure is deduced to be similar, because the optical spectra measured in solution and in the solid state contain similar absorptions. In solution at room temperature, no (31)P{(1)H} NMR resonance is observed, but the very small solid-state magnetic moment at temperatures down to 4 K indicates that the weak paramagnetism of this nickel(II) complex can be ascribed to temperature independent paramagnetism, and that the complex has no unpaired electrons. The red [1,2-bis(di-tert-butylphosphanyl)ethane-κ(2)P,P']dichloridonickel(II), [NiCl2(C18H40P2] or (dtbpe-κ(2)P)NiCl2, is very close to square planar and very weakly paramagnetic in the solid state and in solution, while the maroon [1,2-bis(di-tert-butylphosphanyl)ethane-κ(2)P,P']dibromidonickel(II), [NiBr2(C18H40P2] or (dtbpe-κ(2)P)NiBr2, is isostructural with the diiodide in the solid state, and displays paramagnetism intermediate between that of the dichloride and the diiodide in the solid state and in solution. Density functional calculations demonstrate that distortion from an ideal square plane for these complexes occurs on a flat potential energy surface. The calculations reproduce the observed structures and colours, and explain the trends observed for these and similar complexes. Although theoretical investigation identified magnetic-dipole-allowed excitations that are characteristic for temperature-independent paramagnetism (TIP), theory predicts the molecules to be diamagnetic. ","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1437-47"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113030692","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

NMR diffusion: an update. 核磁共振扩散:更新。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-21 DOI: 10.1107/S0108270113029661

Paul S Pregosin

引用次数: 6

On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb(8-x)Eu(x)(In,Ge)46 (0.6 ≤ x ≤ 1.8). ⅰ型包合物中Rb-和Eu-阳离子有序的可能性:新化合物Rb(8-x)Eu(x)(in,Ge)46(0.6≤x≤1.8)的合成和均匀性范围

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-13 DOI: 10.1107/S0108270113030011

Marion C Schäfer, Svilen Bobev

{"title":"On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb(8-x)Eu(x)(In,Ge)46 (0.6 ≤ x ≤ 1.8).","authors":"Marion C Schäfer, Svilen Bobev","doi":"10.1107/S0108270113030011","DOIUrl":"https://doi.org/10.1107/S0108270113030011","url":null,"abstract":"Studies in the Rb-Eu-In-Ge system confirm the existence of the phase Rb(8-x)Eu(x)(In,Ge)46 (0.6 ≤ x ≤ 1.8), crystallizing with the cubic clathrate type-I structure. The In and Ge content can be varied, concomitant with changes in the Rb-Eu ratio. Two of the three framework sites are occupied by statistical mixtures of Ge and In atoms, while the site with the lowest multiplicity is taken by the In atoms only. Based on the three refined formulae [heptarubidium europium nonaindium heptatriacontagermanide, Rb7.39(3)Eu0.61(3)In8.88(5)Ge37.12(5), and two forms of hexarubidium dieuropium decaindium hexatriacontagermanide, Rb6.30(3)Eu1.70(3)In9.76(4)Ge36.24(4) and Rb6.24(2)Eu1.76(2)In10.16(5)Ge35.84(5)] and the explored different synthetic routes, it can be suggested that the known ternary phase Rb8In8Ge38 and the hypothetical quaternary phase Rb6Eu2In10Ge36 represent the boundaries of the homogeneity range. In the former limiting composition, both the (Ge,In)20 and the (Ge,In)24 cages are fully occupied by Rb atoms only, whereas Rb6Eu2In10Ge36 has Rb atoms encapsulated in the larger tetrakaidecahedra, with Eu atoms filling the smaller pentagonal dodecahedra. For the solid solutions Rb(8-x)Eu(x)(In,Ge)46, Rb and Eu are statistically disordered in the dodecahedral cage, and the tetrakaidecahedral cage is only occupied by Rb atoms.","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1457-61"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113030011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

Solid-state photochemistry of molecular photo-switchable species: the role of photocrystallographic techniques. 分子光开关物质的固态光化学:光晶体学技术的作用。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-30 DOI: 10.1107/S010827011303223X

Lauren E Hatcher, Paul R Raithby

引用次数: 21

(9E)-9-benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one: a hydrogen-bonded R2(2)(8) dimer. (9E)-9-苄基-2-甲基磺酰-5-苯基-6,7,8,9-四氢嘧啶[4,5-b]喹啉-4(3H)- 1:一个氢键R2(2)(8)二聚体。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-13 DOI: 10.1107/S010827011303059X

Diana Becerra, Braulio Insuasty, Justo Cobo, Christopher Glidewell

引用次数: 0

Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene. 首尾相连的方形环状氢键导致二聚体聚集体:1,8-二苯甲酰-2,7-二羟基萘及其与类似苯甲酰萘的比较。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-21 DOI: 10.1107/S0108270113030771

Saki Mohri, Sayaka Yoshiwaka, Katsuhiro Isozaki, Noriyuki Yonezawa, Akiko Okamoto

{"title":"Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene.","authors":"Saki Mohri, Sayaka Yoshiwaka, Katsuhiro Isozaki, Noriyuki Yonezawa, Akiko Okamoto","doi":"10.1107/S0108270113030771","DOIUrl":"https://doi.org/10.1107/S0108270113030771","url":null,"abstract":"The title compound, C24H16O4, crystallized with two independent molecules in the asymmetric unit. Both carbonyl groups in these molecules form intramolecular O-H...O=C hydrogen bonds with neighbouring hydroxy groups, affording six-membered cyclic structures. In the crystal, dimeric aggregates arise from two intermolecular O-H···O=C hydrogen bonds between both independent molecules, forming head-to-tail square-shaped cyclic ···O···H···O···H··· hydrogen bonds. These dimeric aggregates are connected into layers in the bc plane by intermolecular (naphthalene)C-H...O=C interactions. On the other hand, the analogous compound bearing methoxy groups at the 2- and 7-positions of the naphthalene ring, namely 1,8-dibenzoyl-2,7-dimethoxynaphthalene [Nakaema et al. (2008). Acta Cryst. E64, o807], forms a three-dimensional molecular network via C-H···O=C and π-π interactions between the benzoyl groups. These results show that the intramolecular O-HvO=C hydrogen bonds in the title compound control the orientations of the benzoyl groups and thus promote the formation of the cyclic intermolecular O-H···O=C interactions involving the same donor and acceptor groups in pairs of molecules.","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1541-4"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113030771","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31930948","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1

Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate. 5-[2-(2,4,6-三甲基苯基)重氮-1-基]喹啉-8-酸酯和5,7-双[2-(2-甲基苯基)重氮-1-基]喹啉-8-酸酯配合物的畸变八面体环境

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-08 DOI: 10.1107/S0108270113027947

Marietjie Schutte-Smith, Theunis J Muller, Hendrik G Visser, Andreas Roodt

引用次数: 4

A two-dimensional Cu(I) framework incorporating the 1-phenyl-1H-1,2,3,4-tetrazole-5-thiol ligand. 含1-苯基- 1h -1,2,3,4-四唑-5-硫醇配体的二维Cu(I)框架。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-08 DOI: 10.1107/S0108270113029065

Fang-Xia Zhou, Cheng-Yang Yue, Hui-Ping Zhang, Xiao-Wu Lei

引用次数: 4

The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride. 两种对称氟基有机配体与氯化亚铜的配位化学。

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-21 DOI: 10.1107/S0108270113030163

Yan-Fei Liu, Chao-Wei Zhao, Jian-Ping Ma, Qi-Kui Liu, Yu-Bin Dong

{"title":"The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride.","authors":"Yan-Fei Liu, Chao-Wei Zhao, Jian-Ping Ma, Qi-Kui Liu, Yu-Bin Dong","doi":"10.1107/S0108270113030163","DOIUrl":"https://doi.org/10.1107/S0108270113030163","url":null,"abstract":"Two novel symmetric fluorene-based ligands, namely, 2,7-bis(1H-imidazol-1-yl)-9,9-dimethyl-9H-fluorene [L1 or (I), C21H18N4] and 2,7-bis(1H-imidazol-1-yl)-9,9-dipropyl-9H-fluorene (L2), have been used to construct the coordination polymers catena-poly[[dichloridodicopper(I)(Cu-Cu)]-μ-2,7-bis(1H-imidazol-1-yl)-9,9-dimethyl-9H-fluorene], [Cu2Cl2(C21H18N4)]n, (II), and catena-poly[[tetra-μ2-chlorido-tetracopper(I)]-bis[μ-2,7-bis(1H-imidazol-1-yl)-9,9-dipropyl-9H-fluorene]], [Cu4Cl4(C25H26N4)2]n, (III). There are three types of C-H···N hydrogen bonds in (I), resulting a two-dimensional network in the ab plane, including a chiral helical chain along the b axis. Compounds (II) and (III) are related one-dimensional polymers. In both, Cu(I) atoms connect the symmetric ligands (L1 or L2) into a one-dimensional chain. In (II), the {[Cu(I)Cl2](-)} unit, acting as a co-anion, adheres to the one-dimensional chain through a weak Cu···Cu interaction. However, in (III), the {[Cu(I)2Cl4](2-)} unit links two different chains into a one-dimensional rope-ladder-type chain. In addition, there are C-H···Cl hydrogen bonds and π-π interactions in the extended structures of (II) and (III), the difference is that the chains in (II) are linked into a two-dimensional network while the chains in (III) are stacked into a three-dimensional framework.","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1488-93"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113030163","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31931577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 1