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1.
The crystal and molecular structure of catena-[(-acetato) (-phthalazine)-silver(I)dihydrate], {[Ag(O2CCH3) (C8H6N2)(H2O)2]2}n, has been determined by single crystal X-ray analysis: the space group is P21/n,a=16.150(8) Å,b=3.886(5) Å,c=18.716(9) Å, =96.02(5)°,V=1168 Å3. Phthalazine (PHZ) bridges the silver atoms to form {Ag--PHZ]2 dimeric subunits. These dimeric subunits are planar and stack by bridging acetates to form a polymeric lattice. The acetates also form an asymrnetric chelate ring with the silver atoms which result in a distorted, square pyramidal configuration. The complex is further characterized by its IR and thermal properties. 相似文献
2.
Andrea M. Goforth Mark D. Smith Hans-Conrad zur Loye 《Journal of chemical crystallography》2003,33(4):303-306
The two-dimensional coordination polymer [Cu2
i
2(pyz)]n (where pyz = pyrazine) has been synthesized hydrothermally and structurally characterized by single crystal X-ray diffraction analysis. [Cu2
i
2(pyz)]n crystallizes in the space group P
with a = 4.1759(4) Å, b = 7.1281(7) Å, c = 8.1279(8) Å, = 109.607(2), = 101.769(2), = 96.676(2), and Z = 1. The sheet-like polymer is characterized by infinite stair step [Cu2
i
2]n double chains connected in two dimensions through bridging pyrazine ligands. The coordination environment about each copper is approximately tetrahedral having three Cu–I bonds and a single Cu–N bond. 相似文献
3.
Alvin A. Holder Robert T. Stibrany Nadejda Bolotina Martin Hall Vince C.R. Payne Kristin Kirschbaum A. Alan Pinkerton Anthony M. Newton 《Journal of chemical crystallography》2004,34(6):383-386
The synthesis and molecular structure of the title compound, [(nitrito-O,O) (dpa)2Cu(II)] (NO2), 1, is reported. Compound 1 crystallized in the orthorhombic space group Pccn with a = 11.397(5) Å, b = 12.256(6) Å, c = 14.876(8) Å, and V = 2077.9(17) Å3 with Z = 4. The distorted octahedral copper(II) cations are linked through a hydrogen-bonded polymer network. The polymer network is formed through the amine N–H of the cations and hydrogen bonded to the N–HO nitrite anions. 相似文献
4.
Kazi A. Azam Anjoli R. Das Michael B. Hursthouse Shariff E. Kabir K. M. Abdul Malik 《Journal of chemical crystallography》1998,28(4):283-288
The reaction of [Os3(CO)10(MeCN)2] with 2-ethylpyridine at ambient temperature leads to the isolation of the cluster [(-H)Os3(CO)10(-2-N=CCH=CHCH=CC2H5)][3 (65% yield) which has been structurally characterized by crystallographic methods. The compound crystallizes in the triclinic space group
with a = 9.334(2), b = 9.918(2), c = 11.767(1) Å, = 92.13(2), = 99.93(1), = 99.88(2)°, V = 1054.7(3) Å3 and Z = 2. The same edge of the osmium triangle in the cluster is bridged by both the hydrido and the heterocyclic ligands, the latter through the nitrogen and the carbon atoms of the C=N bond. 相似文献
5.
The crystal structures of the anhydrous and monohydrated (dabcoH2)CuCl4nH2O salts (n = 0,1) have been determined and a comparison of their crystal structures has been reported. The anhydrous salt is monoclinic P21/c with a = 9.045(2) Å, b = 6.9270(10) Å, c = 18.767(4) Å and = 90.07(3)° with V = 1175.8(4) Å3. The hydrated salt is also monoclinic P21/c with a = 9.266(2) Å, b = 9.395(2) Å, c = 14.386(3) Å and = 93.32(3)° with V = 1250.3(5) Å3. The structures of the two salts are closely related. Both compounds contain isolated distorted (compressed) tetrahedral CuCl4
2– anions, diprotonated dabco cations, and in the case of the hydrated salt, lattice H2O molecules. In the anhydrous salt, each of the two N–H+ groups of the dabcoH2
2+ dications form bifurcated hydrogen bonds to chloride ions on adjacent CuCl4
2– anions along the c axis, thus forming chains running parallel to the c axis. In the hydrated salt, a water molecule is inserted into one of the pair of bifurcated hydrogen bonds, forming instead N–H O–H CuCl4
2– linkages. The chains thus formed are cross-linked by O–H Cl hydrogen bonds between the chains. Because of this additional hydrogen bonding, the CuCl4
2– anions in the hydrated salt are distorted further from tetrahedral geometry. 相似文献
6.
Volodymyr Olijnyk Tadeusz Głowiak Marian Mys'kiv 《Journal of chemical crystallography》1995,25(10):621-624
By means of alternating current electrochemical synthesis, triclinic crystals of [(C3H5)2NH2][Cu(NO3)2] -complex were obtained: space group
,a=7.218(2),b=7.536(2),c=10.231 (3) Å, =74.75(3), =82.47(3), .=77.22(3)°, andD
meas=1.80(1)g cm–3 forZ=2. The structure consists of diallylammonium cations which form two -coordinate bonds to the same copper atom. Oxygen atoms from NO3-anions complete the trigonal pyramidal metal environment. The coordinated C=C bonds are lengthened to 1.349(5) and 1.369(5) Å. 相似文献
7.
The molecular structure of [(tBu)2Al(-OPh)]2 has been determined. The intramolecular steric interaction between the phenyl groups and thetert-butyl ligands results in the geometry about aluminum being significantly distorted from tetrahedral, with the AlC2 planes are pitched 62° with respect to the Al2O2 plane. The greater distortion from tetrahedral about aluminum, and the orientation of the phenoxide ring more nearly perpendicular to the M2O2 core as compared to that in [(tBu)2Ga(-OPh)]2 are all consistent with increasedtBu...Ph steric interaction as a consequence of the smaller M2O2 core for [(tBu)2Al(-OPh)]2. Crystal data: tetragonal, I41/acd,a=16.44(1),c=21.41(1) Å,V=5788(7) Å3,Z=8,R=0.047,R
w=0.045. 相似文献
8.
Hai-Liang Zhu Yong-Jun Pan Xian-Jiang Wang Kai-Bei Yu 《Journal of chemical crystallography》2004,34(3):199-202
The title complex, [Co(phen)(H2O)4](SO4)2(H2O) (phen = 1,10-phenanthroline) was prepared in aqua tert-butylperoxohydrogen solution. X-ray single crystal structure determination reveals that the complex consists of a phenanthrolinatocobalt(II)tetrahydrate dication, two uncoordinated water molecules and a sulfate anion. It crystallizes in the orthorhombic space group Pbca with a = 8.856(1), b = 18.318(3), c =21.918(5) Å, V = 3555.6(11) Å3. The coordination geometry at each cobalt(II) atom is a slightly distorted octahedron. 相似文献
9.
C. Niamh McMahon Julie A. Francis Andrew R. Barron 《Journal of chemical crystallography》1997,27(3):191-194
The crystal and molecular structure of [(tBu)2Al(μ-Cl)]2 has been determined. The bond lengths and geometry about aluminum are similar to that in [Me2Al(μ-Cl)]2 and [(Mes)2Al(μ-Cl)]2 suggesting that the geometry about the aluminum is defined by the steric repulsion between the alkyl groups on adjacent aluminum centers and not steric congestion between ligands on individual aluminum centers. Crystal data: Triclinic, $P\bar 1$ ,a=6.514(1),b=8.628(2),c-11.236(2)c=11.236(2) Å, α=102.05(3), β=105.32(3), γ=103.47(3)°,V=567.2(3) Å3,Z=1,R=0.063,R w =0.067. 相似文献
10.
Simon G. Bott Yoshihiro Koide Andrew R. Barron 《Journal of chemical crystallography》1996,26(8):563-567
The crystal and molecular structure of [(tBu)2Al(-NHtBu)]2 has been determined. The unit cell contains two independent molecules with only slight variation in the orientation of thetert-butyl ligands. Crystal data: Triclinic,
,a=9.0138(6),b=10.2944(8),c=15.791(1) , =91.262(6), =89.822(6), =106.141(6)°,V=1407.2(2) Å3,Z=2,R=0.039,R
w=0.041. 相似文献
11.
Tongbu Lu Xinyu Peng Yoshihisa Inoue Mikio Ouchi Kaibei Yu Liangnian Ji 《Journal of chemical crystallography》1998,28(3):197-201
The complex [Y(NO3)3(OH2)3]·(Me2-16-crown-5)·H2O has been prepared and its crystal and molecular structure determined using single crystal X-ray diffraction. The colorless crystals belong to the monoclinic space group P21/n with Z = 4. Lattice parameters are a = 10.420(1), b = 17.257(3), c = 14.646(2) Å, = 96.79(1)°, V = 2615.1(6) Å3. The yttrium(III) ion is nine-coordinate, bonded to three bidentate nitrate groups and three water molecules. The average Y–O(nitrate) and Y–O(water) distances are 2.42(3) and 2.33(1) Å, respectively. The average HO–H···O hydrogen bonded separation is 2.767Å. 相似文献
12.
A. U. Sheleg E. M. Zub A. Ya. Yachkovskii L. F. Kirpichnikova 《Crystallography Reports》2002,47(4):577-580
The a, b, c lattice parameters of a [(CH3)2NH2]2 · CuCl4 crystal have been measured by the X-ray diffraction method within the temperature range of 100–300 K. The temperature dependences of thermal expansion coefficients αa = f(T), αb = f(T), and αc = f(T) along the principal crystallographic axes and thermal expansion coefficient of the unit-cell volume αV = f(T) are determined. It is found that all the three parameters, a, b, and c, vary with temperature in a complicated way and show jumplike anomalies in the a = f(T), b = f(T), and c = f(T) curves at phase-transition temperatures T c1 = 255 K and T c2 = 279 K. An incommensurate phase with the modulation wave vector q i = (1/2 + δ)(a* + c*) is revealed in the temperature range 279–296 K. It is shown that the incommensurability parameter δ increases with an increase in temperature. 相似文献
13.
V. N. Serezhkin E. V. Peresypkina M. O. Karasev A. V. Virovets L. B. Serezhkina 《Crystallography Reports》2014,59(2):196-201
Compounds (CN3H6)2[UO2(OH)2(NCS)]NO3 (I) and β-Cs3[UO2(NCS)5] (II) are synthesized and studied by IR spectroscopy and single-crystal X-ray diffraction. I and II crystallize in the orthorhombic system. For I, a = 12.2015(13) Å, b = 7.3295(8) Å, c = 16.310(2) Å, space group Pnma, Z = 4, and R = 0.0327; for II, a = 21.7891(6) Å, b = 13.5120(3) Å, c = 6.8522(2) Å, space group Pnma, Z = 4, and R = 0.0268. In structure I, complex groups form infinite chains [UO2(OH)2(NCS)] n n? belonging to the AM 2 2 M 1 crystal chemical group of uranyl complexes (A = UO 2 2+ , M 2 = OH?, and M 1 = NCS?). The main structural elements of crystals II are mononuclear [UO2(NCS)5]3? groups belonging to the AM 5 1 group of uranyl complexes (A = UO 2 2+ and M 1 = NCS?). In I and II, uranium-containing complexes are connected with outer-sphere cations by electrostatic interactions, and in I a system of hydrogen bonds also contributes to their binding. Specific features of the packing of complex [UO2(NCS)5]3? groups in the structures of two modifications of Cs3[UO2(NCS)5] are discussed. 相似文献
14.
Yali Ji Lang Liu Dianzeng Jia YongMin Qiao Kaibei Yu 《Journal of chemical crystallography》2002,32(12):505-509
A cobalt(II) complex, [Co(PMBP-smdtc)2]2H2O, in which PMBP-smdtc is the l-phenyl-3-methyl-4-benzoyl-5-pyrazolone Schiff base of S-methyldithiocarbazate, has been synthesized and characterized by IR spectrum and single crystal X-ray diffraction. The crystal is monoclinic: space group C2/c, with a = 12.455(2) Å, b = 16.024(2) Å, c = 20.513(3) Å, = 101.18(1)°, V = 4016.3(10) Å3, and Z = 4. The cobalt ion is octahedrally coordinated by two tridentate Schiff base ligands with ONS donor atoms. The molecules are bridged together by two water molecules through H-bond along b axis and one-dimensional indented chain structure is formed. 相似文献
15.
Peter C. Junk 《Journal of chemical crystallography》1999,29(9):997-1000
Crystallization of calcium nitrate from a toluene solution of triethyleneglycol (= 2,2-[1,2-ethanediylbis(oxy)]-bisethanol) resulted in the formation of the 1:2 solvate [Ca(triethyleneglycol)2](NO3)2·H2O. [Ca(C6H14O4)2](NO3)2·H2O is monoclinic, P21/c, a = 15.775(1), b = 8.660(2), c = 16.342(1) Å, = 91.239(7)°, V = 2232.1(6) Å3, Z = 4, and D
c = 1.429 g cm–3. The eight-coordinate calcium has square antiprismatic geometry with two triethyleneglycol molecules straddling the metal center. The nitrate anions and water of crystallization are involved in hydrogen bonding with the alcoholic hydrogen atoms. 相似文献
16.
Mohammad R. Hasan Michael B. Hursthouse Shariff E. Kabir K.M. Abdul Malik Edward Rosenberg Tasneem A. Siddiquee 《Journal of chemical crystallography》1999,29(5):597-602
The reaction of [Ru3(CO)10(-dppm)] 1 with PPhCl2 in refluxing CHCl3 results in the isolation of [(-H)Ru3(CO)8(-Cl)(-dppm)] 3 in 10% yield. Compound 3, which has been structurally characterized by crystallographic methods, is also formed from the reaction of 1 with H2 in refluxing CCl4. The compound crystallizes in the monoclinic space group P21/c with a = 16.814(2), b = 18.7590(12), c = 11.486(2) Å, = 97.745(11)°, V = 3589.8(8) Å3, and Z = 4. The hydride and chloride ligands bridge the same edge of the triruthenium cluster as the dppm ligand. 相似文献
17.
Aminou Mohamadou Gerard A. van Albada Allison M. Mills Anthony L. Spek Jan Reedijk 《Journal of chemical crystallography》2004,34(4):233-238
The compound [Cu(biz)2(N3)](ClO4) (biz = 2,2-bi-imidazoline) has been synthesized and characterized by X-ray crystallography and infrared spectroscopy. In addition, EPR and magnetic measurements have been performed. The compound crystallizes in the monoclinic space group P21/c, with a = 9.2716(2), b = 27.6454(4), c = 7.4285(1) Å, = 102.1417(6)°, V = 1861.46(5) Å3, and Z = 4. The coordination geometry around the Cu(II) ion is distorted square pyrimidal, with 4 nitrogen atoms of 2 bis-chelating ligand molecules in the basal plane and one nitrogen of the azide molecule in the apical position. The perchlorate ion is noncoordinating. In the infrared the vibrations of the coordinated azide anion are observed at 2050, 1286, and 620 cm–1, while the vibrations of the free perchlorate anion are observed at 1071, 1035, and 919 cm–1; Cu—N vibrations are observed at 418 and 336 cm–1. The molecules are connected in the lattice via relatively strong hydrogen bonding between the N—H groups at the back of the biz ligand and the N1 and N3 atoms of the azide ligand forming layers. No intermolecular magnetic interaction was observed for this compound. 相似文献
18.
Franco Benetollo Gabriella Bombieri Giuseppe Alonzo Nuccio Bertazzi Girolamo A. Casella 《Journal of chemical crystallography》1998,28(11):791-796
The reaction between bismuthate oxide and phen (1,10-phenanthroline) in acid medium led to the isolation of the unusual [(PhenH)(PhenH2)][BiCl6]·2H2O derivative, which has been characterized by X-ray analysis and IR spectroscopy. The compound crystallizes in the triclinic space group
with a = 8.313(2), b = 9.349(2), c = 9.807(3) Å, = 86.39(3), = 110.27(3) and = 106.48(3)°. The crystal structure is made of [BiCl6]3– anions and [(PhenH)(PhenH2)]3+ cations. A network of hydrogen bond interactions involving the two clathrated water molecules, the phenanthroline moiety and the chlorines characterizes the entire structure. 相似文献
19.
A novel heteronuclear complex, [NdZn2L6(NO 3)(phen)2] (HL = -methylacrylic acid, phen = 1,10-phenanthroline), was synthesized and characterized by elemental analysis, infrared absorption spectra (IR) and its molecular structure was also determined by X-ray structure analysis. The title complex contains a discrete trinuclear ZnNdZn molecule bridged by carboxylate groups between Zn and Nd ions and crystallizes in space group P¯1 with the cell dimensions: a = 13.601(3) Å, b = 16.859(2) Å, c = 12.575(2) Å, = 110.09(1), = 112.21(1), = 81.10(2). 相似文献
20.
A water soluble flavonoid sulfate, [Ni(H2O)6](C19H17O9S)2·2H2O was synthesized and its structure was determined by single-crystal X-ray diffraction analysis. The crystal of it belongs to triclinic crystal system, space group P–1. The results show that the title compound consists of [Ni(H2O)6]2+, C19H17O6SO3
− and H2O. Ni(II) is located on the symmetry center and octahedrally coordinated by six water molecules. A variety of hydrogen bonds among [Ni(H2O)6]2+, C19H17O6SO3
− and the lattice water molecules build a hydrophilic region. Aromatic π–π stacking interactions assemble isoflavone skeletons into a column and the columns form a hydrophobic region of the title compound. The sulfo-groups bridge the hydrophilic regions and the hydrophobic regions as well as the inorganic components and organic components. Hydrogen bonds, stacking interactions and the electrostatic interactions between cation [Ni(H2O)6]2+ and anion sulfonate C19H17O6SO3
− lead the moieties to a three-dimensional structure. 相似文献