Zeitschrift für Kristallographie - Crystalline Materials最新文献_第4页

A doubly mononuclear cobalt(II) complex constructed with azide anions and a new coordination mode of the 2-(2-pyridylmethylamino) ethanesulfonic acid ligands: structure, conformation comparison and Hirshfeld surface analysis 叠氮阴离子双单核钴(II)配合物及2-(2-吡啶基甲基胺)乙磺酸配体的新配位模式:结构、构象比较及Hirshfeld表面分析

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 2023-11-24 DOI: 10.1515/zkri-2023-0031

Shu-Hui Chen, Hai-Tao Song, Xia Xu

{"title":"A doubly mononuclear cobalt(II) complex constructed with azide anions and a new coordination mode of the 2-(2-pyridylmethylamino) ethanesulfonic acid ligands: structure, conformation comparison and Hirshfeld surface analysis","authors":"Shu-Hui Chen, Hai-Tao Song, Xia Xu","doi":"10.1515/zkri-2023-0031","DOIUrl":"https://doi.org/10.1515/zkri-2023-0031","url":null,"abstract":"A doubly mononuclear cobalt(II) complex [Co(Hpmt)2(N3)2]2 (1) (Hpmt = 2-(2-pyridylmethylamino)ethanesulfonic acid; N3 = azide anion) has been synthesized and structurally characterized. Single-crystal X-ray diffraction analysis showed that 1 has crystallized in orthorhombic crystal system, Cmc21 space group. In the two independent and identical complexes, the cobalt(II) centers are both hexa-coordinated in distorted CoN6 octahedrons. The reduced Schiff base ligand Hpmt displayed a new coordination mode of bidentate chelate (κ 2-N,N′). The careful comparisons between Hpmt upon coordination and as free acid form demonstrated that the conformation flexibility might be responsible for its multiple coordination modes. The N–H⋯O and C–H⋯N hydrogen bonds constructed the 3D network, and this mainly agreed with the Hirshfeld surface analysis results.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"86 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138531613","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}

引用次数: 0

Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114 两个异构体Ba5Mg4C54O48H114和Pb5Mg4C54O48H114

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 2022-08-16 DOI: 10.1515/zkri-2021-2074

Jan Fábry, Erika Samolová, Michal Dušek

{"title":"Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114","authors":"Jan Fábry, Erika Samolová, Michal Dušek","doi":"10.1515/zkri-2021-2074","DOIUrl":"https://doi.org/10.1515/zkri-2021-2074","url":null,"abstract":"Abstract There are reported two related structures of Ba5Mg4C54O48H114 (dodeca(aqua-6κ3O,7κ3O,8κ3O,9κ3O)-tris(μ2-propanoato-1:6κ2O,1κO′)-tris(μ-propanoato-2:7κ2O,2κO′-tris(μ-propanoato-3:8κ2O,3κO′)-tris(μ-propanoato-4:9κ2O,4κO′)-hexakis(μ3-propanoato-1:5κ2O,2:5κ2O′;1:5κ2O,3:5κ2O′;1:5κ2O,4:5κ2O′;2:5κ2O,3:5κ2O′;2:5κ2O,4:5κ2O′;3:5κ2O,4:5κ2O′)-pentabarium tetramagnesium), (I), and Pb5Mg4C54O48H114 (dodeca(aqua-1κ3O,2κ3O,3κ3O,4κ3O)-hexakis(μ3-propanoato-1:5κ2O,2:5κ2O′;1:5κ2O,3:5κ2O′;1:5 κ2O,4:5κ2O′;2:5κ2O,3:5κ2O′;2:5κ2O,4:5κ2O′;3:5κ2O,4:5κ2O′)tetramagnesium lead(II) tris(propanoato-κ2O,O′)plumbate(II)), (II). The title structures are compositional isomers which crystallize in the same space group type. The structure of (I) comprises molecules with symmetry 4 ‾ 3 m $overline{4}3m$ . The structure (II) comprises the complex cation {Pb(C3H5O2)6[Mg(H2O)3]4}4+ with the symmetry 4 ‾ 3 m $overline{4}3m$ and four anions [tris(propanoato-κ2O,O′)plumbate(II)]−, [Pb(C3H5O2)3]− , with 3m symmetry. The central cations Ba12+ and Pb12+ in (I) and in the cation {Pb(C3H5O2)6[Mg(H2O)3]4}4+ of the structure (II), respectively, have similar structural features which are comparable to the environment of the Ba2+ cation in BaCa2(C3H5O2)6 [Stadnicka, K. & Glazer, A. M. (1980). Acta Cryst. B36, 2977–2985]. The molecules in (I) and the ions in (II) are interconnected by Owater‒H⋯Opropanoate hydrogen bonds of a moderate strength. The ethyl chains are disordered which is common in propanoates. However, there are unprecedented features in the title structures: 1) The central atom Pb12+ is the first known example of a Pb2+ cation which is surrounded by six carboxylates in a bidentate bridging mode, i.e. by 12 oxygens. 2) The anion [tris(propanoato-κ2O,O′)plumbate(II)]− has a constitution with unusually prominent stereochemical activity of the 6s2 electron pair of the cation Pb2+ completing the coordination to the tetrahedral one. Thus, its formula can be expressed as [Pb[ψ−4t](C3H5O2)3]−. 3) In both title structures, there are propanoate molecules with disordered carboxylate oxygens.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"53 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138508247","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}

引用次数: 0

Crystal structure of 2,3-bis-(dimethylamino)- diethylsuccinate, ((CH3)2N)2C2H2(COOC2H5)2 水晶结构2 . 3至2

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.76

K. Peters, E. Peters, H. Schnering, R. Schulze, Hans-Dieter Beckhaus, C. Rüchardt

引用次数: 2

Crystal structure of 1,1'-(1,3-phenylene)bisisoquinoline, C24H16N2 1,1′-(1,3-苯基)双异喹啉C24H16N2的晶体结构

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.87

P. Jones, P. Bubenitschek, G. Dyker, M. Nouroozian

引用次数: 2

Crystal structure of ytterbium silver germanide, YbAgGe 锗化银镱的晶体结构

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.58

R. Pöttgen, B. Gibson, R. Kremer

引用次数: 6

Crystal structure of samarium tris(dicyanoaurate(I)) hydrate, Sm[Au(CN)2]3* 2.6 H2O 三(二氰酸盐(I))水合钐Sm[Au(CN)2]3* 2.6 H2O的晶体结构

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.51

A. Stier, K. Range

引用次数: 4

Crystal structure of 5-bromo-2-(2-bromo-2- nitroethenyl)furan, C6H3Br2NO3

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.63

H. Novoa-de-Armas, R. Pomes-Hernandez, J. Duque-Rodríguez, R. Toscano

引用次数: 4

Crystal structure of dirubidium hexabromotungstate(IV), Rb2WBr6 六溴钨酸二铷(IV) Rb2WBr6的晶体结构

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.53

Y.-Q. Zheng, K. Peters, H. Schnering

引用次数: 3

Crystal structure of tetracyanoethylene-4,6,8-trimethylazulene (1/1), (C3N2)2*(C7H2)(C3H3)(CH3)3

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.81

C. Hansmann, S. Foro, H. Lindner, H. Fuess,

引用次数: 1

Synthesis and crystal structure of Cu6[Ge6O18]*6 H2O, a dioptase-type cyclo-germanate 二光型环锗酸盐Cu6[Ge6O18]* 6h2o的合成与晶体结构

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 1997-12-01 DOI: 10.1524/ZKRI.1997.212.1.34

H.-J. Brandt, H. Otto

{"title":"Synthesis and crystal structure of Cu6[Ge6O18]*6 H2O, a dioptase-type cyclo-germanate","authors":"H.-J. Brandt, H. Otto","doi":"10.1524/ZKRI.1997.212.1.34","DOIUrl":"https://doi.org/10.1524/ZKRI.1997.212.1.34","url":null,"abstract":"Cu 6 [Ge 6 O 18 ]. 6 H 2 O is obtained from aqueous solution as a crystalline, greenish-turquoise powder, having space group R3, lattice parameters a =15.0347(4) A and c = 7.9493(2) A, with Z = 18 CuGeO 3 H 2 O formula units per unit cell. The density is d x = 3.88 g cm -3 . X-ray powder diffraction data revealed a crystal structure isotypic with that of the mineral dioptase, Cu 6 [Si 6 O 18 ]. 6 H 2 O. The structure was refined by the Rietveld method to a final residual of R F = 0.036 (R p = 0.067, R wp = 0.088). It consists of sandwiched rings with empty channels down [001]. Isolated and less expanded rings of six corner-sharing GeO 4 tetrahedra alternate vertically with crown-shaped rings of six hydrogen-bonded water molecules. The two ring systems are bonded together by Cu 2+ ions in elongated octahedral coordination of four oxygen atoms and two more distant water molecules. Water can be degassed by heating, leaving Cu 2+ in at least square planar coordination. Once water is removed completely, the less dense compound with lattice parameters a = 14.8763(6) A and c = 7.9761(8) A shows reversible thermochromism from denim-blue at room temperature to rich green at high temperatures, a color which can be frozen by rapid cooling. A crystal-chemical comparison is drawn between Cu 6 [Ge 6 O18]. 6 H 2 O and Cu 6 [Si 6 O 18 ]. 6 H 2 O (dioptase) as well as Pb 6 [Ge 6 0 18 ]. 6 H 2 O, which represents the first example observed with pure [Ge 6 O 18 ] 12- single sechser rings.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"55 1","pages":"34 - 40"},"PeriodicalIF":0.0,"publicationDate":"1997-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85245891","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}

引用次数: 10