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1.
Michel Fleck 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):i63-i65
The crystal structures of dicaesium nickel disilver hexathiocyanate dihydrate, Cs2NiAg2(SCN)6·2H2O, (I), and caesium nickel trithiocyanate, CsNi(SCN)3, (II), have been determined by single‐crystal X‐ray diffraction at 273 K. Compounds (I) and (II) are monoclinic, with P21/c and P21/n symmetry, respectively. In (I), the Ni atom lies on an inversion centre; in (II), there are two independent Ni atoms, each of which lies on an inversion centre. The coordination polyhedra and the bonding schemes in the structures are discussed. 相似文献
2.
Julien Lesage Anne Guesdon Bernard Raveau 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):i44-i46
Rubidium trigallium bis(triphosphate), RbGa3(P3O10)2 has been synthesized by solid‐state reaction and studied by single‐crystal X‐ray diffraction at room temperature. This compound is the first anhydrous gallium phosphate containing both GaO4 tetrahedra (Ga1) and GaO6 octahedra (Ga2 and Ga3). The three independent Ga atoms are located on sites with imposed symmetry 2 (Wickoff positions 4a for Ga1 and 4b for Ga2 and Ga3). The GaO4 and GaO6 polyhedra are connected through the apices to triphosphate groups and form a three‐dimensionnal host lattice. This framework presents intersecting tunnels running along the [001] and <110> directions, where the Rb2+ cations are located on sites with imposed symmetry 2 (Wickoff position 4a). The structure also exhibits remarkable features, such as infinite helical columns created by the junction of GaO4 and PO4 tetrahedra. 相似文献
3.
Zoran Mazej Evgeny Goreshnik 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):i59-i60
The structure of hexafluoroiodium(VII) hexafluoroarsenate, IF6AsF6, has been determined by X‐ray diffraction using a single crystal grown from a saturated solution in anhydrous HF. IF6AsF6 crystallizes in the cubic space group Pa with a simple NaCl‐like ionic packing. The I and As atoms occupy the 4a and 4b Wyckoff positions, respectively, with symmetry. 相似文献
4.
Jason A. Kautz R. Cameron Symes 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):i89-i91
The crystal structure of the title bimetallic cyanide‐bridged complex, {K[HoRu(CN)6(H2O)2]·2H2O}n, was determined by means of single‐crystal X‐ray diffraction techniques. The coordination about the central holmium(III) ion is eightfold in a square‐antiprismatic arrangement, while the ruthenium(II) ion is octahedrally coordinated. Channels permeating the crystal lattice contain the potassium cations and two zeolitic water molecules. The HoIII and K atoms lie at sites with mm symmetry and the Ru atom is at a site with 2/m symmetry. 相似文献
5.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m401-m403
In the crystal structure of the title compound {systematic name: bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]bis(3‐methylpyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and because of the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two methylpyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two intermolecular C—H⋯O interactions involving the methyl and CH groups, and the sulfonyl O atoms of the acesulfamate group. 相似文献
6.
Dmitry Yu. Naumov Natalia V. Kuratieva 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):i9-i10
The structure of rhombohedral (R) iron(III) tris[dihydrogenphosphate(I)] or iron(III) hypophosphite, Fe(H2PO2)3, has been determined by single‐crystal X‐ray diffraction. The structure consists of [001] chains of Fe3+ cations in octahedral sites with symmetry bridged by bidentate hypophosphite anions. 相似文献
7.
Silvia Russi Leopoldo Suescun Alvaro Mombrú Helena Pardo Raúl A. Mariezcurrena Gabriel Cavalli Gustavo Seoane 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):820-821
The title compound, [Fe(C8H11ClO2)(CO)3], has been synthesized, isolated and characterized by single‐crystal X‐ray diffraction. The molecule crystallizes in the orthorhombic space group P212121. The metal–ligand arrangement is typical of (1,3‐diene)tricarbonyliron complexes. 相似文献
8.
Jesús García Díaz Jozef Koíek Marek Fronc Anton Gatial Ingrid Svoboda Vratislav Langer 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m180-m182
Crystals of the title complex, [Cu(CN3O2)2(C3H4N2)4], the structure of which has been determined by single‐crystal X‐ray diffraction at 304 K, appear to be pseudo‐merohedrally twinned. Transformation to a monoclinic C‐centred cell was necessary in order to derive the twin law. Twin refinement in a triclinic unit cell significantly reduced the R value. The asymmetric unit of the triclinic cell consists of one molecule in a general position and two half entities with the Cu atom on a centre of inversion. The coordination of the Cu atom is quasi‐octahedral, with four imidazole N‐atom donors in the equatorial plane and two cyano N atoms from the N‐nitrocyanamidate anion in axial positions. Owing to symmetry in the centrosymmetric molecules, the trans imidazole ligands are parallel, while those in the non‐centrosymmetric molecule make angles of 22.8 (2) and 77.9 (2)°. 相似文献
9.
Tomislav Fri
i Alan J. Lough George Ferguson Branko Kaitner 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m313-m315
The title dimeric complex, bis{μ‐2,2′‐[hexane‐1,6‐diylbis(nitrilomethylidyne)]diphenolato‐1:2κ4O,N:N′,O′}dicopper(II),[Cu2(C20H22N2O2)2], has been investigated by single‐crystal X‐ray diffraction, by thermogravimetric analysis and differential scanning calorimetry, and also by FT–IR spectroscopy. Different synthetic and crystallization procedures gave crystals which were quite different in appearance, and it was initially thought that these were different polymorphic forms. Subsequent structure determination showed, in fact, serendipitous preparation of crystals in the P41 space group by one method and in space group P43 by the other. In these enantiomorphic structures, the Cu atoms have a distorted flattened tetrahedral coordination, with Cu—N and Cu—O distances in the ranges 1.954 (4)–1.983 (4) and 1.887 (4)–1.903 (4) Å, respectively. 相似文献
10.
Süheyla
zbey Nesrin Gkhan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o737-o739
A new type of benzothiazolinone derivative with potential pharmacological activity, viz. 6‐(3,4‐difluorobenzoyl)‐3‐[2‐(4‐pyridyl)ethyl]‐1,3‐benzothiazol‐2(3H)‐one, C21H14F2N2O2S, has been prepared and studied by NMR, IR and single‐crystal X‐ray diffraction techniques. The molecule is not planar, the pyridine and difluorobenzene moieties being located above and below the benzothiazole ring system. The carbonyl O atoms are involved in an intramolecular hydrogen‐bond‐type interaction. 相似文献
11.
Jan Fbry Ivana Císaov Jan Kroupa 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e359-e360
n‐Propylammonium dihydrogenphosphate, C3H7NH3+·H2PO4?, crystals are ferroelastic at room temperature. The phase transition into the prototypic phase takes place at approximately 378 K. All atoms except two H atoms are linked by the lost symmetry operations derived from the prototypic space group P2/b21/n21/a. Each of these two different H atoms is involved in an asymmetric hydrogen bond between an oxygen pair. Ferroelastic switching is concomitant with jumps of these H atoms from the donor to the acceptor O atoms. The compound belongs to the structural family of n‐alkylammonium dihydrogenphosphate and in particular to the structure type of pentylammonium dihydrogenphosphate, which differs by localization of alternating layers from the rest of the known alkylammonium dihydrogenphosphates. The crystal was slightly twinned; the proportion of the minor domain was approximately 3.5%. 相似文献
12.
Akifumi Iida Tomoji Ozeki 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):i43-i46
The crystal structures of dimagnesium disodium decavanadate icosahydrate, Mg2Na2V10O28·20H2O, (I), and trimagnesium decavanadate octacosahydrate, Mg3V10O28·28H2O, (II), have been determined by single‐crystal X‐ray diffraction. They crystallize with monoclinic (C2/c) and triclinic () symmetry, respectively. All the Mg2+ cations in (I) and (II) are octahedrally coordinated by six water molecules. The Na+ cations in (I) are coordinated by three water molecules and three O atoms of the decavanadate anions, and link the latter into a three‐dimensional network. The decavanadate anions in (II) are not linked to one another. 相似文献
13.
Sergei D. Kirik Alexander I. Blokhin Ruslan F. Mulagaleev 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(10):m445-m447
The water‐insoluble title compound, octakis(μ‐acetato‐κ2O:O)octakis(μ‐nitroso‐κ2N:O)octapalladium(II), [Pd8(CH3COO)8(NO)8], was precipitated as a yellow powder from a solution of palladium nitrate in nitric acid by adding acetic acid. Ab initio crystal structure determination was carried out using X‐ray powder diffraction techniques. Patterson and Fourier syntheses were used for atom locations, and the Rietveld technique was used for the final structure refinement. The crystal structure is of a molecular type. The skeleton of the [Pd8(CH3COO)8(NO)8] molecule is constructed as a tetragonal prism with Pd atoms at the vertices. The eight NO− groups are in bridging positions along the horizontal edges of the prism. The N and O atoms of each nitroso group coordinate two different Pd atoms. The vertical edges present Pd⋯Pd contacts with a short distance of 2.865 (1) Å. These Pd atoms are bridged by a pair of acetate groups in a cis orientation with respect to each other. The complex has crystallographically imposed 4/m symmetry; all C atoms of the acetate groups are on mirror planes. The unique Pd atom lies in a general position and has square‐planar coordination, consisting of three O and one N atom. 相似文献
14.
Ahmet Bulut Hasan budak Gzde Sezer Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m228-m230
In the crystal structure of the title compound, bis(2‐aminopyrimidine‐κN1)bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed‐ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and by the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety. 相似文献
15.
Won K. Seok Li J. Zhang Konstantin Karaghiosoff Thomas M. Klaptke Peter Mayer 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m439-m441
The trichloro‐bridged dinuclear RuII complex tri‐μ‐chloro‐bis{[1,1,1‐tris(diphenylphosphinomethyl)ethane‐κ3P,P′,P′′]ruthenium(II)} hexafluorophosphate ethanol solvate, [Ru2Cl3(tripod)2]PF6·C2H6O, containing the tripod [1,1,1‐tris(diphenylphosphinomethyl)ethane, C41H39P3] ligand, was unexpectedly obtained from the reaction of [RuIIICl3(tripod)] with 1,4‐bis(diphenylphosphino)butane (dppb), followed by precipitation with NH4PF6. The magnetic moment of the compound at room temperature indicates that the dinuclear [Ru2(μ‐Cl)3(tripod)2]+ cation is diamagnetic. A single‐crystal X‐ray structure determination revealed that the two Ru atoms are bridged by the three Cl atoms. The coordination sphere of each Ru atom is completed by the three P atoms of a tripod ligand. The two P3Ru units are exactly eclipsed, while the bridging Cl atoms are staggered with respect to the six P atoms. The Ru⋯Ru distance is 3.3997 (7) Å and the mean Cl—Ru—Cl bond angle is 77.7°. 相似文献
16.
Süheyla
zbey F. Betül Kaynak Erdal Ertas Turan Ozturk 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o393-o395
A new type of thiophene derivative having α‐thioketone groups at the 3‐ and 4‐positions, viz. the title compound, C22H20O4S3, has been prepared and studied by NMR spectroscopy and single‐crystal X‐ray diffraction techniques. The molecule is nearly planar, the dihedral angles between the essentially planar thiophene and benzene rings being 9.4 (1) and 10.6 (1)°. One of the thioketone O atoms is involved in an intermolecular C—H⋯O hydrogen‐bonding interaction. 相似文献
17.
Jan Fbry Ivana Císaov Jan Kroupa 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e263-e264
Crystals of n‐butylammonium dihydrogenphosphate, C4H9NH3+·H2PO4?, reveal ferroelasticity at room temperature and a number of phase transitions when heated up to approximately 373 K. Some of these phase transitions show hysteresis effects. All atoms except two H atoms exist in pairs linked by the lost symmetry operations derived from the prototypic space group P2/b21/n21/a. Each of these two different H atoms is involved in an asymmetric hydrogen bond between an oxygen pair. Ferroelastic switching is concomitant with jumps of these hydrogen species from donor to acceptor O atoms. The studied structure belongs to the structural family of n‐hexyl‐ to n‐decylammonium dihydrogenphosphates and differs by localization of alternating layers from n‐propyl‐ and n‐pentylammonium dihydrogenphosphates. The studied crystal was slightly twinned; the minor domain constituted approximately 2%. 相似文献
18.
Kaliyamoorthy Panneerselvam Tian‐Huey Lu Shu‐Fang Tung Aswini K. Dash Pradeep Mathur 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):438-439
Bubbling acetylene gas slowly through a methanol solution of [(CO)6Fe2{μ‐SSe}] containing sodium acetate for 48 h at room temperature yields the double‐butterfly complex μ‐[ethane‐1,1,2,2‐tetra(selenido/sulfido)]bis[hexacarbonyldiiron(Fe—Fe)], [Fe4(C2H2S2Se2)(CO)12]. The molecular structure was established by single‐crystal X‐ray diffraction techniques. The structure consists of two Fe2SSe butterfly units linked to each other through a bridging HC—CH group. The molecule has twofold symmetry and the two Fe atoms have distorted octahedral geometries. 相似文献
19.
Liang Shen Zhi Min Jing 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m591-m592
The title complex, {[Ni(C2H8N2)3][Na(NCS)3(H2O)]}n, consists of discrete [Ni(en)3]2+ dications (en is ethylenediamine) and polymeric [(H2O)0.5Na(NCS)3(H2O)0.5]n2n? anions. The compound crystallizes in space group Pc1. The NiII atom lies on a threefold axis and has a distorted octahedral coordination geometry. The Na+ cation also lies on a site with imposed crystallographic threefold symmetry and is coordinated by the thiocyanate N atoms (the thiocyanates are in general positions), by one water molecule with crystallographically imposed 32 symmetry and by a second water molecule with crystallographically imposed symmetry. The unique Na atom thus has trigonal–bipyramidal coordination. The O atoms of the water molecules bridge the Na+ cations to form one‐dimensional polymeric chains in the crystal structure. The [Ni(en)3]2+ dications are distributed around and between the chains and are linked to them via N—H?S hydrogen bonds. 相似文献
20.
Neven Strukan Marina Cindri Boris Kamenar 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):639-641
The crystal and molecular structure of dipotassium di‐μ‐oxo‐bis[aqua(oxalato‐O1,O2)oxomolybdenum(III)] trihydrate, K2[Mo2O4(C2O4)2(H2O)2]·3H2O, has been determined from X‐ray diffraction data. In the dimeric anion, which has approximate twofold symmetry, each Mo atom is in a distorted octahedral coordination, being bonded to one terminal oxo‐O atom, two bridging O atoms, two O atoms from the oxalato ligand and one from the water molecule. Bond lengths trans to the multiple‐bonded terminal oxo ligand are larger than those in the cis position, confirming the trans influence as a generally valid rule. 相似文献