The absorption spectrum of LiF—Fe3+ single crystals was investigated at liquid nitrogen temperature. Six new absorption bands, unobserved earlier in other works, were found, which were located at 11 200, 16 000, 22 700, 27300, 30 500, and 41 900 cm−1. The spectrum was interpreted in the cubic cristalline field approximation with Dq = 1397 cm−1, B = 657 cm−1, C = 3226 cm−1. Above mentioned bands were assigned to the transitions from a ground state 6A1g to the levels 4T1g(G), 4T2g(G), 4A1g(G) (4Eg), 4Eg(D), 2T1g(F), and 4T1g(F), respectively. 相似文献
The compound [UO2(NO3)2(H2O)2] · 2C12H18O was synthesized and studied by IR spectroscopy and X-ray diffraction. The structure consists of the neutral island groups
[UO2(NO3)2(H2O)2], which belong to the crystal-chemical group AB012M12 (A = UO22+, B01 = NO3−, M1 = H2O) of uranyl complexes, and 1-adamantyl methyl ketone molecules. The characteristic features of the association of the complexes
[UO2(NO3)2(H2O)2] and 1-adamantyl methyl ketone molecules in the crystal structure via hydrogen bonds are considered with the use of Voronoi-Dirichlet
polyhedra. 相似文献
Reaction of 15-crown-5 or 18-crown-6 in 3:1 (v/v) CH3CN:CH3OH with Cd(NO3)2·4H2O followed by slow evaporation produces [Cd(NO3)2(15-crown-5)] or [Cd(NO3)2(18-crown-6)]. Crystals of [Cd(NO3)2(15-crown-5)] are orthorhombic with space group Pbca and cell parameters a = 13.562(5), b = 15.941(9), and c = 15.011(7) Å at 295 K. [Cd(NO3)2(18-crown-6)] crystallizes in the monoclinic space group C2/c with a = 11.235(2), b = 11.196(5), c = 15.385(3) Å, and = 99.89(2)° at 295 K. The metal center in [Cd(NO3)2(15-crown-5)] rests atop the macrocyclic donor array with two cis-bound nitrate anions and adopts a distorted tricapped trigonal prismatic geometry. [Cd(NO3)2(18-crown-6)] resides on an equatorial two-fold rotation axis with Cd2+ coordinated in the 18-crown-6 cavity and the nitrate anions oriented in twisted trans positions. 相似文献
Single crystals of the compound (NH4)3[UO2(CH3COO)3]2[UO2(CH3COO)(NCS)2(H2O)] (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 18.3414(6) ?, b = 16.3858(7) ?, c = 12.4183(5) ?, β = 92.992(1)°, space group C2/c, Z = 4, V = 3727.1(3) ?3, and R = 0.0253. The uranium-containing structural units of crystals I are mononuclear complexes of two types with an island structure, i.e., the [UO2(CH3COO)3]− anionic complexes belonging to the crystal-chemical group (AB301 = UO22+, B01 = CH3COO−) of the uranyl complexes and the [UO2(CH3COO)(NCS)2(H2O)]− anionic complexes belonging to the crystal-chemical group AB01M31 (A = UO22+, B01 = CH3COO−, M1 = NCS− or H2O). 相似文献
Single crystals of the compound {NH2(C2H5)2}2[(UO2)2C2O4(CH3COO)4] · 2H2O (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 9.210(2) ?, b = 14.321(3) ?, c = 12.659(3) ?, β = 105.465(13)°, V = 1609.2(6) ?3, space group P21/c, Z = 2, and R = 0.0198. The structural units of crystals I are binuclear groups of the composition [(UO2)2C2O4(CH3COO)4]2− with an island structure, which belong to the crystal-chemical group A2K02B401 (A = UO22+, K02 = C2O42−, B01 = CH3COO−) of the uranyl complexes, diethylammonium cations, and water molecules. The uranium-containing groups are joined into a three-dimensional
framework through electrostatic interactions with diethylammonium cations and a system of hydrogen bonds, which are formed
with the participation of the atoms involved in the composition of the water molecules, oxalate ions, acetate ions, and diethylammonium
cations.
Original Russian Text ? L.B. Serezhkina, A.V. Vologzhanina, N.A. Neklyudova, V.N. Serezhkin, 2009, published in Kristallografiya,
2009, Vol. 54, No. 1, pp. 65–67. 相似文献
Single crystals of the compound K2[(UO2)4(O)2(OH)2(C2O4)(CH3COO)2(H2O)2]·2H2O (I) are synthesized, and their structure is investigated using X-ray diffraction. Crystals of compound I belong to the triclinic system with the unit cell parameters a = 7.6777(6) ?, b = 7.9149(7) ?, c = 10.8729(9) ?, α = 72.379(2)°, β = 86.430(3)°, γ = 87.635(2)°, V = 628.33(9) ?3, space group P
, Z = 1, and R1 = 0.0323. The main structural units of the crystals are [(UO2)4(O)2(OH)2(C2O4)(CH3COO)2(H2O)2]2− chains, which belong to the crystal-chemical group A4M23M22K02B201M21 (A = UO22+, M3 = O2−, M2 = OH−, K02 = C2O42−, B01 = CH3COO−, M1 = H2O) of the uranyl complexes. The chains are formed by linking the centrosymmetric tetramers of the composition (UO2)4(O)2(OH)2(CH3COO)2(H2O)2 via tetradentate bridging oxalate ions. The uranium-containing groups are joined into a three-dimensional framework through
the electrostatic interaction with potassium cations and a system of hydrogen bonds, which are formed with the participation
of atoms involved in the composition of the water molecules, hydroxide ions, and uranyl ions.
Original Russian Text ? L.B. Serezhkina, A.V. Vologzhanina, N.A. Neklyudova, V.N. Serezhkin, 2009, published in Kristallografiya,
2009, Vol. 54, No. 3, pp. 483–487. 相似文献
Single crystals of PbUO2(CH3COO)4(H2O)3 have been investigated by X-ray diffraction (R = 0.029 for 3175 reflections). The structure of this compound is formed by [Pb(CH3COO)(H2O)3]+ chains, which are oriented along the [100] axis and limited by one-core complexes [UO2(CH3COO)3]−. The coordination numbers of the Pb(II) and U(VI) atoms are 8, and the coordination polyhedron of uranium is a hexagonal bipyramid whose vertices contain oxygen atoms of
three bidentate cyclic acetate groups and the uranyl group. Taking into account the different crystallographic roles of acetate
ions, the crystal-chemical formula of [PbUO2(CH3COO)4(H2O)3] chains can be written as AA′B21B11(B01)2M31, where A = Pb; A′ = UO22+; M1 = H2O; and B21, B11, and B01 are CH3COO− groups. 相似文献
The synthesis and crystal structure of a new dinuclear complex Cu2(C2H4N4)2 (CH3N3)4 are reported. It crystallizes in the monoclinic system of space group P21/c, with a = 8,459(1) Å, b = 15,481(3) Å, c = 8,714(2) Å, = 110,60(1)°, and Z = 2. The centrosymmetric molecular structure of Cu2(C2H4N4)2(CH3N3)4 comprises a tetrakis(guanidino)-bridged dinuclear copper(II) core with axially located cnge moities. 相似文献
Two 16 electron titanacyclobutanes of the formula Ti(C5H4R)2(μ2-CH2)2C(CH3)(i-C3H7) (R=H, CH3) have been prepared from the reaction of Ti(C5H5)2(μ2-CH2)(μ2-Cl)Al(CH3)2 or Ti(C5H4CH3)2(μ2-CH2)(μ2-Cl)Al(CH3)2 with H2C=C(CH3)(i-C3H7). Structural parameters, most notably lengthened C–C bonds in the titanacyclobutane ring, for both complexes reveal the expected
presence of (C–C)→Ti agostic interactions. The complexes are isomorphous, crystallizing in the monoclinic space group Cc. For Ti(C5H5)2(μ2-CH2)2C(CH3)(i-C3H7), a = 11.3459(3) ?, b = 16.2108(4) ?, c = 8.1646(2) ?, β = 105.5276(16)°, V = 1446.87(6)°, Dcalc = 1.268 at 150(1) K. For Ti(C5H4CH3)2(μ2-CH2)2C(CH3)(i-C3H7), a = 12.6591(2) ?, b = 16.2795(4) ?, c = 8.2462(2) ?, β = 107.2421(14)°, V = 1623.04(6) ?3, Dcalc = 1.245 at 150(1) K. 相似文献
C16H42NO2Si3Br: Mr = 444.76, monoclinic space group P 21/c, a = 23.300(8), b = 8.918(4), c = 13.403(2) Å, β = 101.69(4)°, V = 2727(1) Å3, Dx = 1.08 Mgm−3, Dexp = 1.06 Mgm−3, Z = 4, F(000) = 932, λ(MoKα) = 0.71069 Å, μ = 16.3 cm−1. The crystal structure was determined by direct methods and refined by least-squares procedure to the discrepancy factor R = 0.117. C15H40NO2 Si3Br: Mr = 430.34, monoclinic space group P21/c, a = 23.460(4), b = 8.518(2), c = 13.403(2) Å, β = 102.03(2)°, V = 2619(1) Å3, Dx = 1.09 Mgm−3, Dexp = 1.07 Mg−3, Z = 4, F (000) = 920, λ(MoKα) = 0.71069 Å, μ = 33.9 cm−1. The crystal structure was determined by least-squares refinement of the structure model derived from structure determination of C16H42NO2·Si3Br to the discrepancy factor R = 0.099. C16H42NO2Si3Br: Daten siehe oben. C15H40NO2Si3Br: Daten siehe oben. 相似文献
The crystal structures of (i) CH3(C9H6O2)SO2C6H5 and (ii) CH3(C8H8O2)SO2−C6H5 have been determined by X-ray diffraction. (i) crystallizes in the monoclinic space groupP21/c with unit cell parametersa=8.814(1)?,b=10.310(1)?,c=15.841(4)?, β=98.17(1)o, andZ=4, and (ii) crystallizes in the orthorhombic space groupP212121 with unit cell parametersa=6.206(1)?,b=11.752(5)?,c=19.865(3)?, andZ=4. The pyran ring in both of them is in the distorted half-chair conformation with differeing degrees of distortion from
the ideal. 相似文献
The EPR spectra of X-irradiated Na2Cr2O7 · 2 H2O crystals grown from the aqueous solution at room temperature are studied. Three groups of lines are detected, which marked conventionally as C1, C2 and C3. Each of the C1 and C2 line groups is a superposition of two doublets. The lines are interpreted as due to the Cr5+ ions in the distorted (stretched) oxygenous tetrahedron. The doublet structure is due to hyperfine interaction with nuclei of 1/2 spin which are protons of water. It is shown that the C1 and C2 line groups are due to the centers of the same type with different orientations in the lattice. The principal g-tensor values for these centres were as follows: gz = 1.916, gy = 1.978, gx = 1.986. 相似文献
The measurements of crystal lattice parameters (a, b, c) were conducted and the volumes (v) of unit cells of solid solutions forming in the system KNO3 NH4NO3 H2O at 298 K were calculated. It was established that in this system at 298 K two series of solid solutions were formed: the mNH4NO3 · n(KNO3 · 2 NH4NO3) solid solution with the gap of miscibility and the kKNO3 · l(KNO3 · 2 NH4NO3) solid solution with one-sided limited miscibility. 相似文献
Abstract Treatment of [Re2(CO)8(MeCN)2] with excess 1-vinylimidazole in refluxing benzene gives three new compounds [Re2(CO)9{η1-NC3H3N(CH=CH2)}] (1), [Re2(CO)8{η1-NC3H3N(CH=CH2)}2] (2) and [ReCl2(CO)2{η1-NC3H3N(CH=CH2)}2] (3) in 11, 32 and 2% yields, respectively. The solid-state structures of complexes 2 and 3 have been determined by single crystal X-ray diffraction studies. Compound 2 crystallizes in the monoclinic space group C2/c, with lattice parameters a = 13.8378(5) ?, b = 11.8909(5) ?, c = 14.4591(6) ?, β = 116.6470(10)°, Z = 4 and V = 2131.99(15) ?3. Compound 3 crystallizes in the monoclinic space group C2/c, with lattice parameters a = 10.1028(3) ?, b = 13.5640(5) ?, c = 12.5398(4) ?, β = 109.637(2)°, Z = 4 and V = 1618.4(9) ?3. The disubstituted dinuclear compound 2 contains two 1-vinylimidazole ligands coordinated through the imino nitrogen atoms at the equatorial sites, whereas the mononuclear
compound 3 contains two carbonyl ligands, two N coordinated η1-1-vinylimidazole ligands and two terminal Cl ligands.
Graphical Abstract Two dinuclear complesxes [Re2(CO)9{η1-NC3H3N(CH=CH2)}] (1) and [Re2(CO)8{η1-NC3H3N(CH=CH2)}2] (2) and the mononuclear [ReCl2(CO)2{η1-NC3H3N(CH=CH2)}2] (3) were obtained from the reaction of [Re2(CO)8(MeCN)2] with excess 1-vinylimidazole at 80 °C. The X-ray structrures of 2 and 3 are described.
相似文献
A co-crystal of cobalt(II) complexes, Co(AMTTO)2(CH3CN)2]2+(NO3)2. [Co(AMTTO)2(H2O)2]2+(NO3)2, compound (1) was isolated from the reaction of Co(NO3)2?6H2O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine (AMTTO) in acetonitrile as solvent. Isolated crystals were characterized by elemental analyses, IR spectroscopy as well as X-ray diffraction studies. Crystal data for 1 at 95 K revealed a monoclinic space group P21/n, a?=?11.7903(5), b?=?12.1279(5), c?=?14.1443(6) Å, β?=?99.244(4)°, Z?=?2, R1?=?0.0339. Compound 1 consists of two co-crystallized Co(II) complexes [Co(AMTTO)2(CH3CN)2]2+ and [Co(AMTTO)2(H2O)2]2+ and four nitrate counter anions In both complexes, cobalt(II) ions are in an octahedral arrangement. Two S, N bidentate AMTTO ligands are coordinated to both Co(II) ions. The coordination sphere of Co1 is completed by two acetonitrile molecules, and these positions are occupied by water molecules for Co2.
Graphic Abstract
A co-crystal of cobalt(II) compound was isolated from the reaction of Co(NO3)2?6H2O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine in acetonitrile as solvent.
The electronic absorption spectrum and ESR spectrum of the crystal of the title compound [Cu(C7H4NO3S)2(H2O)4] · 2 H2O, are measured. The experimental results are discussed quantitatively by using the ligand field theory and the radial wave function of non-free Cu(II). The electronic structure of the compound is in agreement with its crystal structure. 相似文献
The hydrothermal reaction of a mixture of VOSO4 · xH2O, 1,2,4,5-benzenetetracarboxylic acid (pyromellitic acid) and 0.1 M H2SO4 for 72 h at 160 °C gives blue needle like crystals of [VIV2O2(H2O)2(C6H2(COO)4)] in 30% yield. The compound has a porous 3-D extended network structure having a rigid architecture which is held together
by the multidentate functionalities of 1,2,4,5-benzenetetracarboxylate ligand. Crystal data for the compound: monoclinic space
group C 2/c (No:15), a = 11.756(5) ?, b = 9.645(3) ?, c = 11.822(7) ?, β = 107.10(4)°, Z = 8. The compound constitutes the first example of a fully reduced oxovanadium based solid incorporating the organic ligand.
This article consists of synthesis, crystal structure and characterization of [VIV2O2(H2O)2(C6H2(COO)4)]. 相似文献
The crystal and molecular structures of the complexes of [NiCl2(N4-trzCH2CH2 COPh)4]6H2O and [CoCl2(N4-trzCH2CH2COPh)4] 6H2O (trz = 1,2,4-triazole) have been determined by X-ray crystallography. They are isomorphous. The crystal structures are very similar. They both crystallize in the monoclinic system, space group P21/c, Z = 4; the former with lattice parameters a = 8.0391(2), b = 10.8215(2), c = 29.0133(2) Å, = 94.792(1)°; the latter with a = 8.039(2), b = 10.822(2), c = 29.013(6) Å, = 94.79(3)°. They all display almost perfect octahedral coordination geometry around the central metal atom. Each metal atom is coordinated by four N atoms of triazole from four -propiophenone-1,2,4-triazole ligands and two chloride anions in a trans arrangement. In addition to the coordinating metal complex, there are six uncoordinated water molecules, which complete the crystal structure. In the solid state, the title two compounds form three dimensional network structures through hydrogen bonds. The intermolecular hydrogen bonds connect the [MCl2(C2H2N3CH2CH2COPh)4] and H2O moieties. 相似文献