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1.
Samia Yahyaoui Rached Ben Hassen Bruno Donnadieu Jean‐Claude Daran Abdelhamid Ben Salah 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):i109-i111
The title compound, namely octaaquaytterbium(III) aquanonachlorotricadmate(II) hexahydrate, [Yb(H2O)8][Cd3Cl9(H2O)]·6H2O, was prepared by evaporation at 278 K from an aqueous solution of the ternary system YbCl3–CdCl2–H2O and was characterized by elemental chemical analysis and by X‐ray powder and single‐crystal diffraction studies. The crystal structure can be viewed as being built from layers of double chains of CdCl6 and CdCl5(H2O) octahedra separated by antiprismatic [Yb(H2O)8]3+ cations. The stabilization of the structure is ensured by O—H⋯O and O—H⋯Cl hydrogen bonds. A comparison with the structures of SrCd2Cl6·8H2O and CeCd4Cl11·13H2O is presented. 相似文献
2.
Juraj Kuchr Juraj ernk Werner Massa 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m418-m420
The title compound, bis[diaquabis(ethylenediamine‐κ2N,N′)copper(II)] hexacyanoiron(II) tetrahydrate, [Cu(C2H8N2)2(H2O)1.935]2[Fe(CN)6]·4H2O, was crystallized from an aqueous reaction mixture initially containing CuSO4, K3[Fe(CN)6] and ethylenediamine (en) in a 3:2:6 molar ratio. Its structure is ionic and is built up of two crystallographically different cations, viz. [Cu(en)2(H2O)2]2+ and [Cu(en)2(H2O)1.87]2+, there being a deficiency of aqua ligands in the latter, [Fe(CN)6]4− anions and disordered solvent water molecules. All the metal atoms lie on centres of inversion. The Cu atom is octahedrally coordinated by two chelate‐bonded en molecules [mean Cu—N = 2.016 (2) Å] in the equatorial plane, and by axial aqua ligands, showing very long distances due to the Jahn–Teller effect [mean Cu—O = 2.611 (2) Å]. In one of the cations, significant underoccupation of the O‐atom site is observed, correlated with the appearance of a non‐coordinated water molecule. This is interpreted as the partial contribution of a hydrate isomer. The [Fe(CN)6]4− anions form quite regular octahedra, with a mean Fe—C distance of 1.913 (2) Å. The dominant intermolecular interactions are cation–anion O—H⋯N hydrogen bonds and these interactions form layers parallel to (001). 相似文献
3.
Vratislav Langer Barbara M. Casari 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):i25-i27
A novel structure type of an acidic rare‐earth sulfate, hexapotassium cerium dihydrogensulfate tetrasulfate monohydrate, is reported. The crystal is twinned, mimicking tetragonal symmetry. The CeIV atom is nine‐coordinate, connecting to one corner‐sharing and four edge‐sharing sulfate groups. One of the potassium ions is disordered over two general positions. The compound is unique as it contains rare‐earth monomers, [Ce(HSO4)(SO4)4]5−. The structure is composed of these monomers, water molecules, discrete hydrogensulfate ions and potassium ions held together by ionic interactions. There are two types of alternating layers in the structure, with compositions [K4Ce(HSO4)(SO4)4]− and [K2(HSO4)(H2O)]+. 相似文献
4.
Miroslava Maarov Juraj Kuchr Juraj ernk Werner Massa 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m280-m282
The title compound, tetraethylammonium dodeca‐μ‐cyano‐hexacyanotetrakis(ethylenediamine)tetracadmium(II)triferrate(III), (C8H20N)[Cd4Fe3(CN)18(C2H8N2)4], was prepared from a reaction mixture containing CdCl2, K3[Fe(CN)6], ethylenediamine (en) and [Et4N]Br in a 1:1:3:1 molar ratio. The crystal structure consists of a negatively charged three‐dimensional framework of {[Cd(en)]4[Fe(CN)6]3} anions, with [Et4N]+ cations located in the cavities of the framework. The Cd atom is octahedrally coordinated by one disordered chelating en molecule [mean Cd—N = 2.35 (3) Å] and four N‐bonded bridging cyano groups [Cd—N distances are in the range 2.283 (2)–2.441 (2) Å]. There are two crystallographically independent [Fe(CN)6]3− anions in the structure and in each the Fe atom lies on a twofold axis. In the first [mean Fe—C = 1.941 (5) Å], all the cyano groups are bridging ligands, while in the second [mean Fe—C = 1.945 (2) Å], there are two terminal cyano ligands in trans positions. The Cd—N—C angles range from 128.6 (2) to 172.8 (2)°. 相似文献
5.
Alexander I. Gubanov Natalia V. Kuratieva 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):i83-i85
The structures of orthorhombic bis[pentaammineaquacobalt(III)] tetra‐μ2‐fluorido‐tetradecafluoridotrizirconium(IV) hexahydrate (space group Ibam), [Co(NH3)5(H2O)]2[Zr3F18]·6H2O, (I), and bis[hexaamminecobalt(III)] tetra‐μ2‐fluorido‐tetradecafluoridotrizirconium(IV) hexahydrate (space group Pnna), [Co(NH3)6]2[Zr3F18]·6H2O, (II), consist of complex [Co(NH3)x(H2O)y]3+ cations with either m [in (I)] or and 2 [in (II)] symmetry, [Zr3F18]6− anionic chains located on sites with 222 [in (I)] or 2 [in (II)] symmetry, and water molecules. 相似文献
6.
Yoshiyuki Kani Shigeru Ohba Sayo Ito Yuzo Nishida 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e233-e235
The four title CuII compounds are chloro[(2‐furylmethyl)bis(2‐pyridylmethyl)amine‐N,N′,N′′]copper(II) perchlorate, [CuCl(C17H17N3O)]ClO4, (I), chloro{2‐[bis(2‐pyridylmethyl)amino]ethanolato‐N,N′,N′′,O}copper(II) hemi[tetrachlorocopper(II)], [CuCl(C14H17N3O)][CuCl4]1/2, (II), chloro[(2‐morpholinoethyl)bis(2‐pyridylmethyl)amine‐N,N′,N′′,N′′′]copper(II) perchlorate, [CuCl(C18H24N4O)]ClO4, (III), and chloro[(2‐piperidinylethyl)bis(2‐pyridylmethyl)amine‐N,N′,N′′,N′′′]copper(II) hexafluorophosphate, [CuCl(C19H26N4)]PF6, (IV). They have tripodal potentially tetradentate ligands. In (I), the O atom of the furan moiety weakly coordinates to the Cu atom at a distance of 2.750 (3) Å. 相似文献
7.
Helmut W. Schmalle Ernst Gyr Erich Dubler 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):957-959
Single crystals of the title complex, tris(1,6‐dihydro‐9H‐purine‐6‐thione‐N7,S)iron(II) tetrachloroferrate(III) chloride, [Fe(C5H4N4S)3][FeCl4]Cl, were grown on the surface of solid 6‐mercaptopurine monohydrate pellets in a solution of iron(III) chloride. The solution of the hexagonal structure required the application of twin refinement techniques. All the component ions lie on threefold rotation axes. The complex contains distorted octahedral [Fe(C5H4N4S)3]2+ cations with three N7/S6‐chelating neutral 6‐mercaptopurine ligands, tetrahedral [FeCl4]? anions with a mean Fe—Cl distance of 2.189 (1) Å, and free chloride ions. 相似文献
8.
Andrew J. Gaunt Iain May David Collison Madeleine Helliwell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):i65-i66
The crystal structure of the title compound, nonaammonium (arsenic decatungstido)(arsenic heptatungstido)diaqua‐μ‐hydroxo‐(hydroxyarsenido)dizirconium hexacosahydrate, which was obtained from the reaction of [NaAs4W40O140]27− with ZrIV, has been determined. The anionic complex consists of two hydroxyl‐bridged seven‐coordinate capped trigonal‐prismatic zirconium ions, which are bonded to an [AsW10O36]9− anion and to an [AsW7O28]11− anion that has two {AsOH}2+ capping units. The asymmetric unit contains half of the complex, with one crystallographically independent Zr atom. Crystallographic m symmetry imposed by the monoclinic C2/m space group gives rise to the asymmetric unit comprising half of the complex with one crystallographically independent Zr atom. 相似文献
9.
Xue Li Jian‐Min Dou Ying Liu Lan‐Ying Zhu Pei‐Ju Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1185-1187
The novel PtII–dibenzo‐18‐crown‐6 (DB18C6) title complex, μ‐[tetrakis(thiocyanato‐S)platinum(II)]‐N:N′‐bis{[2,5,8,15,18,21‐hexaoxatricyclo[20.4.0.19,14]hexacosa‐1(22),9(14),10,12,23,25‐hexaene‐κ6O]potassium(I)}, [K(C20H24O6)]2[Pt(SCN)4], has been isolated and characterized by X‐ray diffraction analysis. The structure analysis shows that the complex displays a quasi‐one‐dimensional infinite chain of two [K(DB18C6)]+ complex cations and a [Pt(SCN)4]2? anion, bridged by K+?π interactions between adjacent [K(DB18C6)]+ units. 相似文献
10.
Lionel Moisan Thierry Le Borgne Pierre Thury Michel Ephritikhine 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m98-m101
In bis[1,1′,2,2′,3,3′,4,4′‐octamethyl‐5‐(2‐pyridinio)‐5′‐(2‐pyridyl)ferrocene] di‐μ3‐chloro‐hexadeca‐μ2‐chloro‐hexachlorodi‐μ4‐oxo‐di‐μ3‐oxo‐bis[(η5,κN)‐1,2,3,4‐tetramethyl‐5‐(2‐pyridyl)cyclopentadienyl]octauranium(IV) dichloromethane tetrasolvate, [Fe(C14H17N)(C14H16N)]2[U8Cl24O4(C14H16N)2]·4CH2Cl2, (I), two protonated Fe(cp*py)2 units [cp*py is tetramethyl‐5‐(2‐pyridyl)cyclopentadiene] form an ion pair with the dianionic centrosymmetric cluster U8Cl24O4(cp*py)2. The latter is the highest nuclearity assemblage in the chemistry of uranium (non‐uranyl) compounds reported to date. 相似文献
11.
Sophie H. Dale Mark R. J. Elsegood Sarita Kainth 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m505-m508
Structural determinations of the magnesium(II) and barium(II) salts of pyromellitic acid (benzene‐1,2,4,5‐tetracarboxylic acid) are presented. Hexaaquamagnesium(II) benzene‐1,2,4,5‐tetracarboxylate(2−), [Mg(H2O)6](C10H4O8), (I), and pentaaqua[benzene‐1,2,4,5‐tetracarboxylato(2−)]barium(II), [Ba(C10H4O8)(H2O)5], (II), are both centrosymmetric and both possess a 1:1 metal–ligand ratio, but the two structures are found to differ in that the magnesium salt contains a hexaaqua cation and possesses only hydrogen‐bonding interactions between cations and anions, while the barium salt exhibits coordination of the carboxylate ligand to the nine‐coordinate metal centre. In (I), both ions sit on a 2/m site symmetry, and in (II), the cation and anion are located on m and i site symmetries, respectively. 相似文献
12.
Bernardo Masci Stefano Levi Mortera Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m482-m484
In the title compound, 4,7,13,16,21,24‐hexaoxa‐1,10‐diazoniabicyclo[8.8.8]hexacosane dioxo[7,13,21,27‐tetraphenyl‐3,17‐dioxapentacyclo[23.3.1.15,9.111,15.119,23]ditriaconta‐1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27‐dodecaene‐29,30,31,32‐tetraolato]uranium dimethyl sulfoxide trisolvate, (C18H38N2O6)[U(C54H40O6)O2]·3C2H6OS, the uranyl ion is bound to the four phenoxide groups of the deprotonated p‐phenyltetrahomodioxacalix[4]arene ligand in a cone conformation, resulting in a dianionic complex. The diprotonated [2.2.2]cryptand counter‐ion is located in the cavity defined by the eight aromatic rings of the homooxacalixarene, where it is held by cation–anion, cation–π and possibly C—H⋯π interactions. Dimerization in the packing leads to the formation of sandwich assemblages in which two diprotonated [2.2.2]cryptands are encompassed by two uranyl complexes. 相似文献
13.
Eric Rivard Andrew R. McWilliams Alan J. Lough Ian Manners 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):i114-i118
The structures of four bis(trichlorophosphine)iminium {[Cl3P=N=PCl3]+; systematic name: trichloro[(trichlorophosphoranylidene)iminio]phosphorus(V)} salts, namely bis(trichlorophosphine)iminium hexachloroniobate, (Cl6NP2)[NbCl6], (I), bis(trichlorophosphine)iminium hexachlorotantalate, (Cl6NP2)[TaCl6], (II), bis(trichlorophosphine)iminium tri‐μ‐chloro‐bis[trichlorotitanium(IV)], (Cl6NP2)[Ti2Cl9], (III), and bis[bis(trichlorophosphine)iminium] di‐μ‐chloro‐bis[tetrachlorozirconium(IV)], (Cl6NP2)2[Zr2Cl10], (IV), have been determined. The P=N distances in the discrete [Cl3P=N=PCl3]+ moieties in structures (I), (II) and (IV) range from 1.5460 (14) to 1.5554 (16) Å, and the P=N=P angles range from 136.8 (3) to 143.4 (4)°. The [Cl3P=N=PCl3]+ cation in (III) is disordered and the calculated geometries for the cation are therefore less reliable. Compounds (I) and (II) are isostructural and the metal anions have slightly distorted octahedral geometries. The anion in compound (III) consists of two distorted octahedral Ti centres linked by three μ2‐Cl atoms, while in compound (IV), the dianion is derived from two distorted edge‐shared ZrCl6 octahedra. 相似文献
14.
Matthew R. Wood Thomas A. Brettell Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m33-m35
The title salt, methyl (1R,2R,3S,5S,8S)‐3‐benzoyloxy‐8‐methyl‐8‐azabicyclo[3.2.1]octane‐2‐carboxylate tetrachloroaurate(III), (C17H22NO4)[AuCl4], has its protonated N atom intramolecularly hydrogen bonded to the O atom of the methoxycarbonyl group [N⋯O = 2.755 (6) Å and N—H⋯O = 136°]. Two close intermolecular C—H⋯O contacts exist, as well as five C—H⋯Cl close contacts. The [AuCl4]− anion was found to be distorted square planar. 相似文献
15.
Alexander V. Virovets Vladimir P. Fedin Denis G. Samsonenko William Clegg 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):272-273
The title compound, hexaammonium tetra‐μ3‐selenido‐tetrakis(tricyanomolybdenum) hexahydrate, is isostructural with the Mo/S, W/S and W/Se analogues. The structure contains disordered cyclic hydrogen‐bonded [{(NH4)(H2O)}3]3+ cations and [Mo4Se4(CN)12]6? cluster anions with 3m symmetry. The cation assembly consists of alternating ammonium and water molecules linked by N—H?O hydrogen bonds. The anion has a typical cubane cluster structure. The cations and anions are linked together by hydrogen bonds involving the terminal N atoms of the CN groups. 相似文献
16.
Ai‐Hua Yuan Xiao‐Ping Shen Hu Zhou 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):m161-m162
The title compound, (C16H38N4)[Fe(CN)5(NO)]·2H2O, contains one [Fe(CN)5(NO)]2− dianion, two half [H2teta]2+ dications (teta is 5,7,7,12,14,14‐hexamethyl‐1,4,8,11‐tetraazacyclotetradecane), each lying about an independent inversion centre, and two solvent water molecules, all of which are held together by hydrogen bonds to form a three‐dimensional supramolecular framework. 相似文献
17.
Jakob
sterberg Eriksen Alan Hazell Astrid Jensen Josua Jepsen Rasmus Damgaard Poulsen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):551-553
The reaction between tris(ethylenediamine)nickel(II) cations and hexacyanometallate(III) anions (M = Fe, Co) yields ordered bimetallic assemblies, catena‐poly[[tris(ethylenediamine)nickel‐bis(μ‐hexacyanoiron‐N,N′)] trihydrate] and catena‐poly[[tris(ethylenediamine)nickel‐bis(μ‐hexacyanocobalt‐N,N′)] trihydrate], [{Ni(C2H8N2)2}3{M(CN)6}2]·3H2O, in which both cis and trans [Ni(en)2] and [M(CN)6] moieties are linked to give S‐shaped Ni–NC–M–CN–Ni–NC–M–CN–Ni units which are crosslinked to give ribbons parallel to the b axis. The two compounds are isomorphous with mean metal–ligand distances Fe—C = 1.940 (3), Co—C = 1.844 (3) and Ni—N = 2.102 (2) Å for the iron, and 2.105 (3) Å for the cobalt compound. These compounds appear to be identical with those formulated as [Ni(en)2]3[M(CN)6]2·2H2O [Ohba, Maruona, Okawa, Enoki & Latour (1994). J. Am. Chem. Soc. 116 , 11566–11567; Ohba, Fukita & Okawa (1997). J. Chem. Soc. Dalton Trans. pp. 1733–1737] which were indexed on a smaller unit cell and described as disordered. 相似文献
18.
Pavlo V. Solntsev Joachim Sieler Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m70-m73
catena‐Poly[[aquabis(nitrato‐κ2O,O′)cadmium(II)]‐μ‐1,2,3,6,7,8‐hexahydrocinnolino[5,4,3‐cde]cinnoline‐κN1:κN6], [Cd(NO3)2(C12H12N4)(H2O)]n, (I), and catena‐poly[[[bis(nitrato‐κ2O,O′)cadmium(II)]‐μ‐2,2,7,7‐tetramethyl‐1,2,3,6,7,8‐hexahydrocinnolino[5,4,3‐cde]cinnoline‐κN1:κN6] chloroform solvate], {[Cd(NO3)2(C12H12N4)]·CHCl3}n, (II), are the first structurally examined cadmium–pyridazine coordination compounds. They possess one‐dimensional polymeric structures supported by the bidentate bridging function of the cinnolino[5,4,3‐cde]cinnoline ligands, which lie about inversion centres. The Cd atoms are seven‐coordinated in (I) and six‐coordinated in (II), involving two bidentate nitrate groups [Cd—O = 2.229 (2)–2.657 (2) Å], two N atoms of the cinnoline ligands [Cd—N = 2.252 (2)–2.425 (2) Å], and, additionally, a water O atom in (I) [Cd—O = 2.284 (2) Å]. In (I), the coordinated organic and aqua ligands form an intramolecular O—H⋯N hydrogen bond [O⋯N = 2.730 (3) Å]. 相似文献
19.
Yoshiki Ohgo Saburo Neya Noriaki Funasaki Mikio Nakamura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):694-695
The title complex, (diethyl 3,4,8,15,19,20‐hexamethyl‐21,22,23,24‐tetraazopentacyclo[16.2.1.12,5.17,11.114,17]tetracosa‐1(20),2(22),3,5,7,9,11,13(24),14,16,18‐undecaene‐9,14‐dicarboxylate‐κ4N)iodoiron(III) chloroform solvate, [Fe(C32H32N4O4)I]·CHCl3, shows an almost planar arrangement of the corrphycene moiety with a slightly distorted trapezoid pyramidal core; the FeIII atom is 0.416 (1) Å from the plane of the C20N4 system. The Fe—N distances are 2.049 (3), 2.044 (3), 2.079 (3) and 2.075 (3) Å. The solvated chloroform forms a C—H?O hydrogen bond [C?O 3.107 (10) Å] to an adjacent carbonyl O atom. This is the first X‐ray structure analysis of a corrphycenatoiron(III) derivative. 相似文献
20.
Paul V. Bernhardt Nathan L. Kilah 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m245-m249
The pendent‐arm macrocyclic hexaamine trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine (L) may coordinate in tetra‐, penta‐ or hexadentate modes, depending on the metal ion and the synthetic procedure. We report here the crystal structures of two pseudo‐octahedral cobalt(III) complexes of L, namely sodium trans‐cyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) triperchlorate, Na[Co(CN)(C13H30N6)](ClO4)3 or Na{trans‐[CoL(CN)]}(ClO4)3, (I), where L is coordinated as a pentadentate ligand, and trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diaminium)cobalt(III) tetraperchlorate tetrahydrate, [Co(CN)2(C14H32N6)][Co(CN)2(C14H30N6)](ClO4)4·4H2O or trans‐[CoL(CN)2]trans‐[Co(H2L)(CN)2](ClO4)4·4H2O, (II), where the ligand binds in a tetradentate mode, with the remaining coordination sites being filled by C‐bound cyano ligands. In (I), the secondary amine Co—N bond lengths lie within the range 1.944 (3)–1.969 (3) Å, while the trans influence of the cyano ligand lengthens the Co—N bond length of the coordinated primary amine [Co—N = 1.986 (3) Å]. The Co—CN bond length is 1.899 (3) Å. The complex cations in (II) are each located on centres of symmetry. The Co—N bond lengths in both cations are somewhat longer than in (I) and span a narrow range [1.972 (3)–1.982 (3) Å]. The two independent Co—CN bond lengths are similar [1.918 (4) and 1.926 (4) Å] but significantly longer than in the structure of (I), again a consequence of the trans influence of each cyano ligand. 相似文献