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1.
Yan‐Fen Peng Xun‐Gao Liu Bao‐Zong Li Yong Zhang Bao‐Long Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m333-m336
In the title complex, poly[copper(II)‐di‐μ2‐thiocyanato‐μ2‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene], [Cu(NCS)2(C12H12N6)]n, the CuII atom lies on an inversion centre in a tetragonally distorted octahedral environment. Four N atoms from thiocyanate and 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (bbtz) ligands fill the equatorial positions, and S atoms from symmetry‐related thiocyanate ligands fill the axial positions. The benzene ring of the bbtz ligand lies about an inversion centre. Single thiocyanate bridges link the CuII atoms into two‐dimensional sheets containing an unprecedented 16‐membered [Cu4(μ‐NCS‐N:S)4] ring. The bbtz ligands further link the two‐dimensional sheets into a three‐dimensional network. 相似文献
2.
Hai‐Yan Ge Yu‐Mei Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m501-m503
The coordination geometry of the CdII atom in the title complex, [Cd(NCS)2(C12H12N6)2]n or [Cd(NCS)2(mbtz)2]n, where mbtz is 1,3‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene, is a distorted compressed octahedron in which the CdII atom lies on an inversion centre, coordinated by four N atoms from the triazole rings of four mbtz ligands and two N atoms from two monodentate NCS− ligands. The structure is polymeric, with 24‐membered spiro‐fused rings extending along [100] and with the 24‐membered ring containing two inversion‐related mbtz molecules. 相似文献
3.
Yu‐Mei Zhang Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m120-m122
The coordination geometry of the ZnII atom in the title complex, [Zn2(NCS)4(C6H8N6)2], is that of a distorted tetrahedron, in which the ZnII atom is coordinated by four N atoms from the triazole rings of two symmetry‐related 1,2‐bis(1,2,4‐triazol‐1‐yl)ethane ligands and two thiocyanate ligands. Two ZnII atoms are bridged by two organic ligands to form a dimer. The dimer lies about an inversion center. 相似文献
4.
Bao‐Zong Li Xun‐Gao Liu Zhao‐Hui Wang Yong Zhang Bao‐Long Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):m10-m12
In the crystal structure of the title complex, poly[μ‐1,4‐bis(1,2,4‐triazol‐1‐yl)butane‐di‐μ‐1,5‐dicyanamido‐cadmium(II)], [Cd(C2N3)2(C8H12N6)]n or [Cd(dca)2(btb)]n, where dca is dicyanamide and btb is 1,4‐bis(1,2,4‐triazol‐1‐yl)butane, each CdII atom occupies a center of symmetry and is in a six‐coordinated distorted octahedral environment. Four N atoms from four dca ligands fill the equatorial positions, and two N atoms from two btb ligands occupy the axial positions. The dca ligands adopt an end‐to‐end coordination mode and link the CdII atoms to form a 12‐membered Cd(dca)2Cd ring, and neighboring rings extend along the b axis to form a [Cd(dca)2]n chain. The btb ligands, acting as bridging bidentate ligands, link the CdII atoms of adjacent one‐dimensional [Cd(dca)2]n chains, forming a rhombic two‐dimensional network. 相似文献
5.
Bao‐Zong Li Yan‐Fen Peng Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m560-m562
In the crystal structure of the title complex, poly[[diazidocobalt(II)]‐di‐μ‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene‐κ4N4:N4′], [Co(N3)2(bbtz)2]n, where bbtz is 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (C12H12N6), the CoII atom, which lies on an inversion centre, is six‐coordinated by four N atoms from four bbtz ligands and by two N atoms from two azide ligands, in a distorted octahedral coordination environment. The CoII atoms are bridged by four bbtz ligands to form a two‐dimensional [4,4]‐network. 相似文献
6.
Hyoung‐Sil Moon Chong‐Hyeak Kim Sueg‐Geun Lee 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):425-426
In the title compound, catena‐poly[[bis(aniline‐N)cadmium(II)]‐di‐μ‐thiocyanato‐S:N;N:S], [Cd(SCN)2(C6H7N)2], the CdII atom lies on an inversion centre and is in a distorted octahedral geometry. The coordination sphere contains two thiocyanate (SCN) S atoms, two isothiocyanate (NCS) N atoms and two aniline N atoms. The six‐coordinated Cd atoms run parallel to the b axis and are doubly bridged with neighbouring Cd atoms by SCN and NCS ligands. Thus, this complex has a one‐dimensional coordination polymeric chain structure in which the aniline ligand is in the trans conformation. 相似文献
7.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m532-m534
The title complex, [Cd2(C13H9Cl2N2O)2(NCS)2]n, is a novel thiocyanate‐bridged polynuclear cadmium(II) compound. The CdII atom is six‐coordinated in a distorted octahedral configuration, with one O and two N atoms of one Schiff base molecule and one terminal S atom of a bridging thiocyanate ligand defining the equatorial plane, and one terminal N atom of another bridging thiocyanate ligand and one O atom of another Schiff base molecule occupying axial positions. Adjacent inversion‐related [2,4‐dichloro‐6‐(2‐pyridylmethyliminomethyl)phenolato]cadmium(II) moieties utilize bridging phenolate and thiocyanate groups to form polymeric chains running along the b axis. 相似文献
8.
Li‐Yan Wang Yan‐Fen Peng Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):m297-m299
The coordination geometry of the NiII atom in the title complex, poly[diazidobis[μ‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene‐κ2N4:N4′]nickel(II)], [Ni(N3)2(C12H12N6)2]n, is a distorted octahedron, in which the NiII atom lies on an inversion centre and is coordinated by four N atoms from the triazole rings of two symmetry‐related pairs of 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (bbtz) ligands and two N atoms from two symmetry‐related monodentate azide ligands. The NiII atoms are bridged by four bbtz ligands to form a two‐dimensional (4,4)‐network. 相似文献
9.
Zhong‐Lu You Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m397-m399
The title complex, [Cd2(C11H14N3O3)2(NCS)2(CH4O)2], is an interesting thiocyanate‐bridged dinuclear cadmium(II) compound. It is located on a crystallographic inversion center. The CdII atom is six‐coordinated in an octahedral configuration by one O and two N atoms of one Schiff base ligand and by the terminal N atom of a bridging thiocyanate ligand, defining the basal plane, and by the terminal S atom of another bridging thiocyanate ligand and by the O atom of a coordinated methanol molecule, occupying the axial positions. The molecules are linked through intermolecular O—H⋯O hydrogen bonds, forming chains running along the b axis. 相似文献
10.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m406-m408
The title complex, [Cu(C11H14BrN2O)(NCS)]n, is an interesting thiocyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent molecules in the asymmetric unit. Each CuII atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethylamino)ethyliminomethyl]phenolato}copper(II) units are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. There are weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure. 相似文献
11.
Chen‐Xin Cai Yun‐Qi Tian Yi‐Zhi Li Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):m459-m460
In the title mononuclear cobalt complex, bis(2,6‐dimethyl‐1H,7H‐benzo[1,2‐d:4,5‐d′]diimidazole‐κN3)bis(thiocyanato‐κN)cobalt(II), [CoII(NCS)2(DMBDIZ)2] or [Co(NCS)2(C10H10N4)2], the cobalt(II) ion is coordinated to four N atoms, from two thiocyanate anions and two DMBDIZ ligands, in a distorted tetrahedral geometry. In the DMBDIZ ligand, the two imine N atoms are positioned cis with respect to one another. The crystal packing of the complex is dominated by both hydrogen bonding, involving two N—H?N and two N—H?S interactions, and aromatic π–π stacking. 相似文献
12.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):749-753
The CdII three‐dimensional coordination poly[[[μ4‐1,4‐bis(1,2,4‐triazol‐1‐yl)but‐2‐ene]bis(μ3‐5‐carboxybenzene‐1,3‐dicarboxylato)dicadmium(II)] dihydrate], {[Cd2(C9H4O6)2(C8H10N6)]·2H2O}n , (I), has been synthesized by the hydrothermal reaction of Cd(NO3)2·4H2O, benzene‐1,3,5‐tricarboxylic acid (1,3,5‐H3BTC) and 1,4‐bis(1,2,4‐triazol‐1‐yl)but‐2‐ene (1,4‐btbe). The IR spectrum suggests the presence of protonated carboxylic acid, deprotonated carboxylate and triazolyl groups. The purity of the bulk sample was confirmed by elemental analysis and X‐ray powder diffraction. Single‐crystal X‐ray diffraction analysis reveals that the CdII ions adopt a five‐coordinated distorted trigonal–bipyramidal geometry, coordinated by three O atoms from three different 1,3,5‐HBTC2− ligands and two N atoms from two different 1,4‐btbe ligands; the latter are situated on centres of inversion. The CdII centres are bridged by 1,3,5‐HBTC2− and 1,4‐btbe ligands into an overall three‐dimensional framework. When the CdII centres and the tetradentate 1,4‐btbe ligands are regarded as nodes, the three‐dimensional topology can be simplified as a binodal 4,6‐connected network. Thermogravimetric analysis confirms the presence of lattice water in (I). Photoluminescence studies imply that the emission of (I) may be ascribed to intraligand fluorescence. 相似文献
13.
Zhong‐Lu You Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m421-m423
The title complex, [Cu(C13H9Cl2N2O)(NCS)]n, is a novel thiocyanate‐bridged polynuclear copper(II) compound. The CuII atom is five‐coordinated in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the axial position. The [2,4‐dichloro‐6‐(pyridin‐2‐ylmethyliminomethyl)phenolato]copper(II) moieties are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. 相似文献
14.
Christian Nther Inke Jeß 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m190-m192
The CuI cations in the title compound, [Cu(NCS)(C6H6N2O)2]n, are coordinated by N atoms from each of two mirror‐related nicotinamide ligands, as well as by one N atom of one thiocyanate ligand and one S atom of a symmetry‐related thiocyanate ligand, within a slightly distorted tetrahedron. The CuI cations and the thiocyanate anions are located on a crystallographic mirror plane and the nicotinamide ligands occupy general positions. The CuI cations are connected by the thiocyanate anions to form chains in the direction of the crystallographic a axis. These chains are connected by hydrogen bonds between the amide H atoms and the O atoms of adjacent nicotinamide ligands, to give a three‐dimensional structure. 相似文献
15.
Jaromír Marek Jn Van
o Oga vajlenov 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m509-m511
The title polymeric compound, catena‐poly[dipotassium [bis[μ‐N‐salicylidene‐β‐alaninato(2−)]‐κ4O,N,O′:O′′;κ4O′′:O,N,O′‐dicopper(II)]‐di‐μ‐isothiocyanato‐κ2N:S;κ2S:N], {K[Cu(NCS)(C10H9NO3)]}n, consists of [isothiocyanato(N‐salicylidene‐β‐alaninato)copper(II)]− anions connected through the two three‐atom thiocyanate (μ‐NCS) and the two anti,anti‐μ‐carboxylate bridges into infinite one‐dimensional polymeric anions, with coulombically interacting K+ counter‐ions with coordination number 7 constrained between the chains. The CuII atoms adopt a distorted tetragonal–bipyramidal coordination, with three donor atoms of the tridentate Schiff base and one N atom of the bridging μ‐NCS ligand in the basal plane. The first axial position is occupied by a thiocyanate S atom of a symmetry‐related μ‐NCS ligand at an apical distance of 2.9770 (8) Å, and the second position is occupied by an O atom of a bridging carboxylate group from an adjacent coordination unit at a distance of 2.639 (2) Å. 相似文献
16.
Jing Li Ren‐Tao Wu Hong‐Bo Li 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(8):m284-m286
In the title coordination compound, [Cd(C8H3NO6)(C5H8N3)0.5(H2O)]n, each CdII atom is six‐coordinated in a distorted octahedral environment surrounded by three carboxylate O atoms from two different 5‐nitroisophthalate (5‐NIP2−) ligands, two N atoms from two distinct 1,6‐bis(1,2,4‐triazol‐1‐yl)hexane (bth) ligands and one water molecule. The CdII centres are bridged by the bth ligands, which lie across centres of inversion, to give a honeycomb‐like two‐dimensional layer structure; the layers are further connected by the bridging 5‐NIP2− ligands with a κ2;κ1‐μ2 coordination mode to generate the final three‐dimensional structure. Topologically, taking the the CdII atoms and the bth ligands as different four‐connected nodes and the 5‐NIP2− ligands as linkers, the three‐dimensional structure can be simplified to a rare `mesh of trees' (mot) net with the Schäfli symbol (66)(64.82)2. 相似文献
17.
Xin Qiang Wang Wen Tao Yu Dong Xu Meng Kai Lu Duo Rong Yuan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m336-m337
The CdII ion in the title complex, [Cd(SCN)2{SC(NH2)2}2]∞, is situated at a centre of symmetry, and is bound to two N atoms belonging to thiocyanate groups and to four S atoms of bridging thiourea ligands. The structure consists of infinite chains of slightly distorted edge‐shared Cd‐centred octahedra. The bridging S atoms of two thiourea ligands comprise the common edge. Some thermal properties are described. 相似文献
18.
Jn Van
o Oga vajlenov Jaromír Marek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m190-m192
The title compound, K2[Cu2(NCS)2(C12H13NO3)2], consists of two K+ cations and (N‐salicylidene‐d ‐valinato)copper(II) and (N‐salicylidene‐l ‐valinato)copper(II) coordination units connected through three‐atom thiocyanate (μ‐NCS) bridges into a centrosymmetric dianion. The CuII atom adopts a square‐pyramidal coordination, with three donor atoms of the tridentate Schiff base and one N atom of the bridging ligand (μ‐NCS) in the basal plane. The axial position is occupied by the thiocyanate S atom of a symmetry‐related ligand at an apical distance of 2.9332 (10) Å. Coulombic interactions between six‐coordinated K+ ions and the heteroatoms of neighbouring dimeric anions leads to the formation of one‐dimensional chains of molecules parallel to [010]. The superposition of the normals of the pyramidal base planes in a direction close to [001] indicates possible π–π interactions between neighbouring units. 相似文献
19.
Zhao‐Di Liu Ying Zou Min‐Yu Tan Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m447-m448
The title compound, {(C6H14N2)[Ag(NCS)3]}n, is a polymeric silver(I) complex. The AgI atom is hexacoordinated by the S atoms of six thiocyanate anions, with each thiocyanate S atom acting in a bridging mode to link the Ag atoms together. The unique AgI atom lies at a cell origin and has crystallographically imposed symmetry. The diazonia[2.2.2]octane molecule lies about a site with imposed symmetry with the unique N atom on a threefold axis. The S and N atoms of the thiocyanate ligands sit on a mirror plane and a threefold axis, respectively. The crystal structure consists of one‐dimensional chains, which are stabilized by N—H⋯N hydrogen bonds to form a three‐dimensional network. 相似文献
20.
Bao‐Long Li Xia Zhu Jun‐Hui Zhou Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m373-m374
In the crystal structure of the title complex, poly[[diazidomanganese(II)]‐di‐μ‐1,2‐bis(imidazol‐1‐yl)ethane‐κ4N3:N3′], [Mn(N3)2(C8H10N4)2]n or [Mn(N3)2(bim)2]n, where bim is 1,2‐bis(imidazol‐1‐yl)ethane, each MnII atom is six‐coordinated in a distorted octahedral coordination environment to four N atoms from four bim ligands and two N atoms from two azide ligands. The MnII atoms, which lie on inversion centres, are bridged by four bim ligands to form a two‐dimensional (4,4)‐network. The azide ligands are monodentate (terminal). 相似文献