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1.
The product of the reaction of (-C5 H5)Ru(PPh3)2 Cl and CuC2Ph has been characterized by single-crystal x-ray diffraction techniques and shown to have stoichiometry (-C5 H5)Ru(PPh3)2Cu(C2Ph)Cl-(CH3)2CO(I). The compound contains a phenylethynyl group -bonded to the ruthenium atom and simultaneously -bonded to a terminal Cu-Cl bond. Crystals of this compound from acetone are monoclinic,P21/c, witha = 12.914, = 22.111,c = 16.534 Å, = 110.77 °, andZ — 4. Full-matrix least-squares refinement constraining the phenyl rings of the triphenylphosphines, the cyclopentadienyl ring, and the solvent of crystallization (acetone) as rigid groups yieldedR and weightedR values of 0.084 and 0.075, respectively. 相似文献
2.
R. Graziani G. Bombieri E. Forsellini G. Paolucci 《Journal of chemical crystallography》1975,5(1):1-14
The reaction of 2,6-diacetylpyridine-bis(phenylhydrazone),L, with commercial uranyl chloride under a variety of different conditions gave only complexes of the type [2LH]2+[UO2Cl4]2?,xCH3CN (x = 1 or 2). The structure of the title compound was determined by X-ray analysis. The crystals are triclinic, space groupP¯1,a=12.77(1),b= 23.12(2),c= 8.11(1) Å, α = 94.33(3) °, β = 89.43(3) °, γ = 98.22(3) ° andZ= 2. The structure was solved by Fourier methods, and refined by least-squares toR= 0.074 for 5210 reflections which were measured on an automatic diffractometer. The [UO2Cl4]2? anions have approximately4mm m (D 4h ) symmetry, with the uranyl group perpendicular to a plane in which the four chlorine atoms occupy the corners of a square. The organic cations are approximately planar. Shortening in the C-N (chain) bond distances suggests the presence of a mesomeric effect extended over the entire organic system. 相似文献
3.
4.
Sandra Ianelli Corrado Pelizzi Giancarlo Pelizzi Pieralberto Tarasconi 《Journal of chemical crystallography》1996,26(3):195-201
Manganese(II), nickel(II), and copper(II) complexes of 2,6-diacetylpyridine bis (acetylhydrazone) (H2dapac) have been synthesized and structurally characterized by X-ray diffraction methods. [Mn(H2dapac) (OH2)2](NO3)2 crystallizes in the monoclinic space groupP21/c witha=11.145(3),b=10.723(4),c=17.189(2) Å, =92.81(2)° andZ=4; [Ni(H2dapac)(OH2)2] (NO3)2·H2O crystallizes in the monoclinic space groupP21 witha=9.994(3),b=14.423(4),c=7.697(2)Å, =100.37(2)°, andZ=2; [Cu(H2dapac)(OH2)2](NO3)2·H2O crystallizes in the orthorhombic space groupPbcn witha=20.986(5),b=14.552(3),c=6.905(1)Å andZ=4. In each case the metal atom has a slightly distorted pentagonal bipyramidal environment, the equatorial positions being occupied by three nitrogen and two oxygen atoms from the hydrazone ligand and the apices by two water molecules. The crystalline cohesion in ensured by a three-dimensional network of hydrogen bonds involving the complex cations, the nitrate anions, and, where present, the uncoordinate water molecules. 相似文献
5.
The synthesis and crystal structures of two copper bromide salts of the 4-dimethylaminopyridinium (4DMAP+) cation are reported. The Cu(I) salt, (4DMAP)2CuBr3, crystallizes in the monoclinic space group C2/c, with a = 11.724(2), b = 11.055(3), c = 15.763(3) Å, = 107.64(3)°, and Z = 4. It contains isolated planar 4DMAP+ cations and trigonal planar CuBr3
2– anions. Small distortions from idealized D
3h symmetry are observed for the anion. For the Cu(II) salt, (4DMAP)2CuBr4, a triclinic cell is observed with a = 8.2373(2), b = 9.2428(2), c = 14.4391(1) Å, = 93.760(1), = 94.576(1), = 105.249(1)°, and Z = 2. This compound contains discrete planar 4DMAP+ cations and flattened tetrahedral CuBr4
2– anions. Small distortions are observed for ideal D
2d symmetry. 相似文献
6.
The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)gold(III) bis(1,2-dicyanoethene-1,2-dithiolato)aurate(III), Au[S2CN(C4H9)2]2Au[S2C2(CN)2]2, has been determined from a single-crystal X-ray diffraction study. The monoclinic cell, space groupP21,/c, witha = 9·930(3),b = 12·517(3),c = 15·632(3) Å and = 110·46(3) °, contains two formula units. Three-dimensional intensity data, up to = 35 ° were collected on an automatic diffractometer. Atomic parameters were refined by full-matrix least-squares methods to a conventionalR value of 0·04 for 1874 independent non-zero reflections. The structure consists of bis(di-n-butyldithiocarbamato)gold(III) cations and bis(l,2-dicyanoethene-l,2-dithiolato)aurate(III) anions. In both ions, the gold atom is in planar coordination with four sulphur atoms, the Au-S bond lengths being 2·333(4) and 2·337(4) Å in the cation and 2·312(4) and 2·306(5) Å in the anion. 相似文献
7.
Neuse Eberhard W. Khan Fathima B. D. Berhalter Klaus Thewalt Ulf 《Journal of chemical crystallography》1986,16(4):483-493
Several alkyl-, aralkyl-, and aryl-substituted diammonium-oxobis[trichloroferrate(III)] salts, of potential interest as model compounds for the study of certain electrophysical and biological processes, are synthesized via the corresponding tetrachloroferrate(III) salts and are characterized by IR and Raman spectroscopy. A structure analysis is performed on the representative bis(benzyldimethylphenylammonium)-oxobis(trichloroferrate). The (tetracoordinate) iron atoms in the oxo-bridged dinuclear anion of the salt each possess an ever so slightly distorted tetrahedral ligand environment; the bridge geometry [Fe-O distances 1.757(5) and 1.775(5) Å, Fe-O-Fe angle 147.7(3)°] compares well with that of other salts containing the [Cl3Fe-O-FeCl3]2- anion. Crystallographic Data:a=26.392(5) Å,b=14.015(3) Å,c=9.638(2) Å,=92.65(2)°, andZ=4; space groupP21/n.R(F)=0.070,R
W
(F)=0.078 for 4447 observed reflections. 相似文献
8.
Zachary N. Pickett William A. Howard Christopher R. Graves 《Journal of chemical crystallography》2008,38(9):717-721
Abstract Two substituted pyridinium chloride salts, namely 4-chloro-2,6-bis(hydroxymethyl)pyridinium chloride (triclinic, P-1, a = 6.0651(8) ?, b = 8.4393(8) ?, c = 8.6554(9) ?, α = 78.845(1)°, β = 83.156(1)°, γ = 89.047(1)°; V = 431.55(8) ?3; Z = 2) and 4-dimethylamino-2,6-bis(hydroxymethyl)pyridinium chloride hemihydrate (orthorhombic, Aba2, a = 17.2179(14) ?, b = 17.6332(15) ?, c = 7.2068(6) ?; V = 2188.0(3) ?3; Z = 4), have been structurally characterized. Hydrogen bonding and van der Waals contacts are evident in both structures.
Furthermore, the 4-dimethylamino derivative features a trigonal planar dimethylamino group with some π interaction between
the nitrogen atom and the pyridine ring.
Graphical Abstract Two compounds, namely 4-chloro-2,6-bis(hydroxymethyl)pyridinium chloride and 4-dimethylamino-2,6-bis(hydroxymethyl)pyridinium chloride hemihydrate, have been spectroscopically and structurally characterized. 相似文献
9.
J. G. Wijnhoven Th. E. M. van den Hark P. T. Beurskens 《Journal of chemical crystallography》1972,2(4):189-196
The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)-copper (III) triiodide, Cu(S2CN(C4H9)2)2
+I3
–, has been determined from a single-crystal X-ray diffraction study. The monoclinic unit cell, space groupP21/c,a = 14·026(6),b = 8·62(1),c = 25·015(9) Å, = 95·35(5) °, contains four formulaentities. Three-dimensional intensity data were obtained from Weissenberg photographs. Atomic parameters were refined by full-matrix least-squares methods to a conventionalR value of 0·083 for 950 independent non-zero reflexions. The structure contains two symmetry-independent cations. In both cations, the copper atom is in planar coordination with four sulphur atoms, the mean Cu(III)-S bond length being 2·22(2) Å. Cu(III)-S distances are about 0·08 Å less than Cu(II)-S distances in comparable complexes. 相似文献
10.
Bis(4-formyl-2-methoxyphenolato)bis(pyridine)copper(II) monohydrate crystallizes in the triclinic system:a = 10·432,b = 9·342,c = 13·799 Å, = 103·75, = 100·53, = 100·81 °,Z = 2, space groupP¯1.The structure was determined by Fourier methods with Cuk diffractometer data, and refined by a combination of block-diagonal and full-matrix least squares toR = 0·068 for 2430 observed reflexions.The copper atoms occupy the special positions 0, 0, 0 and 0,1/2, 1/2; hence, both molecules are centrosymmetric. Both the methoxy and phenolic oxygen atoms of the phenolate ions coordinate to the metal. These, together with coordinated nitrogen atoms from the pyridine molecules, give the copper atoms a six-fold coordination.Hydrogen bonding between a water molecule and the phenolic oxygen atoms of adjacent molecules results in chains of molecules linked approximately along [011]. 相似文献
11.
The title compound (C18H26N6Cl2) crystallizes in monoclinic space group P21/c with a = 14.867(4) Å}, b = 7.758(2) Å}, c = 9.671(3) Å}, = 108.78(1), V = 1056.0(5) Å}3, Z = 2, Dcal = 1.250 Mg/m3 at T = 293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final R = 0.0650 and wR = 0.1719 using 2493 reflections. The imidazole ring is planar and the n-butyl chain adopts an extended conformation. The molecules in the crystal are stabilized by N–H s N type of intermolecular hydrogen bondings in addition to van der Waals forces. 相似文献
12.
P. Laavanya K. Panchanatheswaran M. N. Arumugam S. Arunachalam 《Journal of chemical crystallography》1998,28(1):83-86
An octahedral geometry for the molecule of the title complex with very slight distortions around Co(III) is confirmed by single-crystal X-ray diffraction study. The molecular structure of the complex has been shown to contain two dodecylamine moieties in the trans orientations, two N-bonded dimethylglyoximato (DMG) groups and an uncoordinated nitrite ion. 相似文献
13.
The crystal structure of bis(morpholino)-disulphide C8H16N2O2S2, has been solved by the symbolic addition procedure using three-dimensional CuK diffractometer data. The system is monoclinic,a = 5·717(4),b = 8·880(7),c = 23·080(20) Å, = 107·8(1) ° andZ = 4. The structure was refined by fullmatrix least-squares methods to a conventional, unweightedR of 0·039 for 1441 observed reflexions. All hydrogen positions have been determined. The molecule possesses a pseudo-diad axis, the morpholine rings being in the chair conformation. Bonds at nitrogen are distorted pyramidal with the attached sulphur equatorial. 相似文献
14.
J. A. Cras J. H. Noordik P. T. Beurskens A. M. Verhoeven 《Journal of chemical crystallography》1971,1(2):155-160
The crystal and molecular structure of bis(N,N-di-n-butyldithiocarbamato)gold(III)dibromoargentate(I), Au(S2CN(C4H9)2)2AgBr2, has been determined by three-dimensional X-ray methods. The compound crystallizes in the monoclinic space groupC2/c with unit cell dimensions:a= 17·39(1)b = 18·65(1);c = 9·199(6) Å; = 93·9(1)°;Z=4. Intensities were collected on an automatic diffractometer. The structural parameters were refined by least-squares methods to a conventionalR factor of 0·048 for 854 non-zero observed reflexions. The structure consists of Au(S2CN(C4H9)2)2+ and AgBr2
– ions. The gold is in planar coordination with four sulphur atoms, the two crystallographically non-equivalent Au-S bond lengths being 2·357(8) and 2·324(8) Å. The silver is linearly coordinated, the Ag-Br bond lengths being 2·450(5) Å. The ionic packing in the structure differs from that in the analogous Au(S2CN(C4H9)2)2AuBr2 complex.The authors are grateful to Professor J. J. Steggerda for his continuous interest and to Mr. W. P. J. Bosman and Mr J. M. M. Smits for valuable assistance. Authors of contributions from the Department of Inorganic Chemistry and Crystallography of this University will no longer be listed in alphabetical order. 相似文献
15.
Tony Hudgens Dale Johnson Wallace Cordes Tosha Barclay David Jeter 《Journal of chemical crystallography》1997,27(4):247-250
(2,2′-bipyrimidine)dinitratopalladium(II) forms a triclinic crystal in space groupP?1 witha=7.605(5) Å,b=8.791(4) Å,c=12.632(5) Å, α=85.11(3)0, β=78.79(4)0, γ=77.45(4)0,V=807.7(7) Å3, andZ=2. The Pd atom exhibits square planar coordination geometry with mean Pd?O=2.206(7) Å, Pd?N=1.990(5) Å, O?Pd?O=92.0(2)0, and N?Pd?N=81.0(2)0. The complexes associate across an inversion center with Pd...Pd=3.190(2) Å. The bipyrimidine ligand is bowed with a 5.9(2)0 dihedral angle between the C4N2 rings. The nitrate ions are on the same side of the N2O2 donor atoms plane and make 60.4(2)0 and 66.6(2)0 dihedral angles with that plane. 相似文献
16.
C. Mahadevan M. Seshasayee P. Kuppusamy P. T. Manoharan 《Journal of chemical crystallography》1985,15(4):305-316
The crystal and molecular structure of the title compound, (C13H11N2)[Ni(S2C6H4)2], is reported. Crystals are triclinic, space groupP¯1(No.2) withZ=2 in a unit cell of dimensionsa=9.363(1),b=10.148(1),c=13.623(1) Å,=85.64(1),=107.33(1), and =113.10(1)°. The structure was solved by the heavy-atom method and refined by the method of full-matrix least squares toR=0.036 for 2874 unique reflections. The metal atom of the anion has an approximate square-planar configuration. The metal atoms occupy the origins and A-face centers of the lattice. The anions with the metal atoms in the origins stack along thec-axis, the interplanar separation being thec-axis lattice repeat of 13.623(1) Å. The anions with the metal atoms in theA-face centers and the cations form a mixed stack along the short diagonal of theab-plane. The short interplanar distances (C–A=A–C=3.43 Å and C-C=3.91 Å) in the mixed stack (CAC-CAC) show the possibility of unusual electrical behavior. There is no evidence of direct or indirect metal-metal interaction.This work was supported by the Department of Science and Technology, Government of India, New Delhi, for which we are grateful. One of the authors (PK) also expresses his thanks to the U.G.C., New Delhi and Pachaiyappas College, Madras, for the award of FIP Fellowship. 相似文献
17.
Stable, dark-violet crystals of (C7H7N2)2CuBr4 were obtained from an aqueous solution of CuBr2, HBr, and benzimidazole. The crystal structure was determined by three-dimensional X-ray analysis. The crystals are monoclinic:C2/c, a=15.651(4),b=7.945(1),c=15.775(4) Å,=91.44(2)°,Z=4,V
c=1960.96 Å3,D
x=2.105 g cm–3. The structure was refined by full-matrix least squares to giveR=0.042 andR
w=0.048 for 1254 intensities above 3(I). The copper(II) ions are four-coordinated in the form of a distorted tetrahedron CuBr4 ofC
2 symmetry. Two different Cu-Br bond lengths are observed: Cu-Br(1)=2.426(2), Cu-Br(2)=2.330(2) Å. Only one flattened angle [Br(2)-Cu-Br(2)=132.71(9)°] in the CuBr4 tetrahedron is noted. The angles Br(1)-Cu-Br(1)=108.83(7), Br(2)-Cu-Br(1)=99.92(5) and Br(2)-Cu-Br(1)=107.13(5)° have been found. Hydrogen bonds explain the deformation of the CuBr
4
2–
coordination polyhedron. The structure is compared with other CuX
4
2–
complexes. 相似文献
18.
I. Turki Z. Elaoud T. Mhiri S. Kamoun P. Gravereau S. Pechev 《Journal of chemical crystallography》2006,36(2):111-116
The salt bis 4-benzyl piperidinium bis dihydrogenmonophosphate trihydrogenmonophosphate (bis 4-BPP bis DPT) is monoclinic with the following unit cell dimensions: a = 13.132(2) Å, b = 8.755(2) Å, c = 13.643(2) Å, β = 92.40(2)°, space group P21 with Z = 2. The structure was solved by the Patterson method and refined to final R value of 0.0430. The structure consists of infinite parallel two-dimensional planes built of mutually H2PO4
−, H3PO4 tetrahedra and cations connected by strong O–H···O and N–H···O hydrogen bonding. There are no contacts other than van der Waals interactions between the layers. 相似文献
19.
Crystals of (p-PhOC6H4)2TeCl2 are monoclinic with space groupP21/c,a=8.063(2),b=21.695(5),c=12.622(2) Å,=101.57(2)°, andZ=4. The structure refined to a finalR value of 0.055 for 2135 unique observed reflections. The compound adopts a primary four-coordinate geometry based on a distorted trigonal bipyramid with an equatorial lone pair. A weak Te-Cl secondary interaction links the molecules into centrosymmetric dimers. 相似文献
20.
A. Dippenaar C. W. Holzapfel J. C. A. Boeyens 《Journal of chemical crystallography》1977,7(4):189-197
The crystal structure of copper bis(tenuazonate) monohydrate has been determined by X-ray diffraction from 968 counter-measured intensities. The thin flat crystals are monoclinic,P21, witha = 13.77(1),b = 15.51(1),c = 11.14(1) Å, = 109.5(2) °, and two formula units, C20H26CuN2O6·H2O, per asymmetric unit. The structure was refined by full-matrix least squares toR = 0.056. Because of the dimerization one copper ion is four- and the other five-coordinate. The dimers are hydrogenbonded into sheets by water molecules.NIM Applied Structural Chemistry Research Group 相似文献