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1.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets M. O. Karasev 《Crystallography Reports》2010,55(1):19-23
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 (AB
301 = UO22+, B
01 = CH3COO−) of the uranyl complexes and the [UO2(CH3COO)(NCS)2(H2O)]− anionic complexes belonging to the crystal-chemical group AB
01M31 (A = UO22+, B
01 = CH3COO−, M
1 = NCS− or H2O). 相似文献
2.
Hassan Hadadzadeh Ghobad Mansouri Ali Reza Rezvani Hamid Reza Khavasi 《Journal of chemical crystallography》2012,42(5):486-493
Abstract
The purpose of this study was to investigate whether co-crystals form by simply mixing pure solutions of [Ni(phen)3](PF6)2 and [Ni(phen)2(phen-dione)](PF6)2 where phen is 1,10-phenanthroline and phen-dione is 1,10-phenanthroline-5,6-dione. The 1:1 cocrystal, [Ni(phen)2(phen-dione)][Ni(phen)3](PF6)4·CH3CN has been characterized by elemental analysis, IR, paramagnetic NMR, and UV–vis spectroscopies, cyclic voltammetry, and single crystal X-ray structure analysis. The title complex crystallized in triclinic crystal system (z = 2) with space group of Pī, a = 13.201(2) ?, b = 14.782(3) ?, c = 22.294(4) ?, α = 81.575(15)o, β = 88.756(15)o, γ = 88.032(15)o and V = 4300.1(14) ?3. A careful inspection of the packing pattern in the lattice reveals that non-covalent interactions of three different types, viz. C–H···F, C=O···H−C and C−H···π interactions, are active in the lattice. The coordination around the Ni(II) centers is a distorted octahedral, with bite angles of 78.3−79.8o for the chelating phen and phen-dione ligands. Cyclic voltammetry of this co-crystal shows that the Ni(III/II) couple is quasi-reversible. The effective magnetic moment (μeff) of the co-crystal was measured to be 2.87 BM per Ni(II) ion by Evans method. The magnitude of μeff is consistent with magnetic moment for octahedral Ni(II) complexes. 相似文献3.
Xin-hua Lu Jing-jing Liang Jing Zhao Yong Zhang Ding-xian Jia 《Journal of chemical crystallography》2011,41(4):557-562
Abstract
Two neodymium thiostannates [Nd(dien)3]2[(Sn2S6)Cl2] (1) and [Nd(dien)3]2[(Sn2S6)(SH)2] (2) (dien = diethylenetriamine) were synthesized by the reaction of tin and sulfur in the presence of NdCl3 and Nd2O3, respectively under solvothermal conditions. Compounds 1 and 2 crystallize in monoclinic space group P21/n. Crystallographic data for 1: a = 11.6722(16), b = 15.119(2), c = 14.1566(19) ?, β = 96.213(3)°, V = 2483.6(6) ?3, Z = 4. For 2: a = 11.7190(14), b = 15.2168(19), c = 14.2209(18) ?, β = 95.775(4)°, V = 2523.1(5) ?3, Z = 4. The nine-coordinate [Nd(trien)3]3+ complex cation formed in situ acts as the counter ion to the [Sn2S6]4− anion. The [Nd(dien)3]3+, [Sn2S6]4− and Cl– (or SH–) ions form a 3-dimensional network structure through the N–H···S and N–H···Cl hydrogen bonds. 相似文献4.
L. B. Serezhkina A. V. Vologzhanina V. V. Klepov V. N. Serezhkin 《Crystallography Reports》2010,55(5):773-779
The single crystal structure of NH4[UO2(CH3COO)3] (I), K[UO2(CH3COO)3] (II), and Cs[UO2(CH3COO)3] (III) is studied by X-ray diffraction. I and II crystallize in the tetragonal crystal system. The crystal data are as follows: a = 13.6985(3) and c = 27.5678(14) ?, V = 5173.1(3) ?3, space group I41/a, Z = 16, and R = 0.023 for I; a = 13.8890(5) and c = 26.0839(18) ?, V = 5031.7(4) ?3, space group I41/a, Z = 16, and R = 0.037 for II. Crystals III are orthorhombic, a = 18.176(2), b = 13.119(2), and c = 22.088(4) ?, V = 5267(1)?3, space group Pbca, Z = 16, and R = 0.0424. In structures I–III, the uranium-containing structural units are represented by discrete mononuclear [UO2(CH3COO)3]− groups, which belong to the AB
301 (A = UO22+, B
01=CH3COO−) crystal chemical group of uranyl complexes. 相似文献
5.
I. V. Medrish E. V. Peresypkina A. V. Virovets L. B. Serezhkina 《Crystallography Reports》2008,53(3):462-465
Three heteroacidoligand uranyl complexes M
4[(UO2)2C2O4(SO4)2(NCS)2] (M = K+ (I), Rb+ (II)) and K4[(UO2)2C2O4(SeO4)2(NCS)2] (III) have been synthesized and their crystal structure has been determined by X-ray diffraction analysis. The compounds I–III are isostructural and crystallized in the monoclinic system, sp. gr. P21/c, Z = 2, a = 11.5548(3) ?, b = 7.0847(1) ?, c = 13.5172(3) ?, β = 93.130(1)°, V = 1104.90(4), R = 0.015 (I); a = 11.5854(9) ?, b = 7.3841(6) ?, c = 13.9072(9) ?, β = 95.754(3)°, V = 1183.74(15), R = 0.0235 (II); a = 11.6715(3) ?, b = 7.1418(2) ?, c = 13.8546(1) ?, β = 93.539(1)°, V = 1152.66(5), R = 0.0126 (III). Basic structural units of these crystals are [(UO2)2C2O4(XO4)2(NCS)2]4− chains, which belong to the crystallochemical group A
2
K
02
B
22
M
21 (A = UO22+, K
02 = C2O2−4, B
2 = SO42− or SeO42−, M
1 = NCS−) of uranyl complexes. Uranium-containing chains are connected into a 3D framework via a system of electrostatic interactions
with potassium or rubidium cations from outer spheres.
Original Russian Text ? I.V. Medrish, E.V. Peresypkina, A.V. Virovets, L.B. Serezhkina, 2008, published in Kristallografiya,
2008, Vol. 53, No. 3, pp. 495–498. 相似文献
6.
L. B. Serezhkina A. V. Vologzhanina V. V. Klepov V. N. Serezhkin 《Crystallography Reports》2011,56(1):132-135
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′B
21
B
11(B
01)2
M
31, where A = Pb; A′ = UO22+; M
1 = H2O; and B
21, B
11, and B
01 are CH3COO− groups. 相似文献
7.
Abstract
A new acetyl phosphorylamidate P(O)[NHC(O)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2 has been synthesized and characterized by elemental analysis, 1H, 13C and 31P NMR, IR and single crystal X-ray diffraction. Single crystal X-ray analysis shows that it belongs to triclinic system, space group P[`1] P\bar{1} , with a = 10.5868(16) Å, b = 11.8058(18) Å, c = 12.4364(19) Å, α = 65.410(3)°, β = 67.492(4)°, γ = 85.879(3)°, V = 1,298.6(3) Å3, and Z = 2. The intermolecular PO···HN hydrogen bond makes H-bonded dimer of molecule with Ci symmetry. In the crystal network, the dimers are aggregated in the chain arrays through π-stacking between p-NO2–C6H4–C(O)–NH– moieties. Moreover, weak C–H···O and C–H···π interactions exist in the crystal network. 相似文献8.
Dorothy H. Gibson Jianguo Wu Jose G. Andino Mark S. Mashuta 《Journal of chemical crystallography》2006,36(11):769-775
The first titled compound, 1, was obtained by treating [Ru(bpy)(η2-tpy)(CO)CH2OH]PF6 with acetic anhydride. Heating 1 in acetonitrile afforded 2, [Ru((η3-tpy)(MeCN)(CO) CH2OAc]PF6. Allowing 2 to stand in CH2Cl2 followed by concentration and precipitation afforded the second titled compound, 3 ([Ru((η3-tpy)(CO)–CH2OAc]PF6), in which the acetoxymethyl group had become bidentate. Crystal data for 1, monoclinic crystal system, space group C2/c, a=26.001(4) ?, b=13.0395(18) ?, c=20.718(3) ?, β=107.700(2)°, V=6691.7(16) ?3, Z=8; for 3, monoclinic crystal system, space group P21/n, a=10.864(2) ?, b=16.922(4) ?, c=11.127(2) ?, β=90.907(3)°, V=2045.4(8) ?3, Z=4. 相似文献
9.
D. V. Pushkin E. V. Peresypkina L. B. Serezhkina A. V. Marukhnov A. V. Virovets 《Crystallography Reports》2011,56(3):451-455
The synthesis and X-ray diffraction analysis of K2(H5O2)[UO2(C2O4)2(HSeO3)] single crystals have been performed. This compound crystallizes in the triclinic system with the unit-cell parameters a = 6.7665(4) ?, b = 8.8850(4) ?, c = 12.3147(7) ?, α = 94.73°, β = 90.16°, γ = 92.11°, sp. gr. P[`1]P\bar 1, Z = 2, and R = 0.019. The basic structural units are island [UO2(C2O4)2(HSeO3)]3− groups, which belong to the AB
201
M
1 crystallochemical group of uranyl complexes (A = UO22+, B
01 = C2O42−, and M
1 = HSeO3−). Uraniumcontaining complexes are linked through K+ and H5O2+ ions and via a system of hydrogen bonds with the participation of oxonium hydrogen atoms in this structure. 相似文献
10.
Xiu-Jian Wang Yi-Min Jiang Jun-Bo Wang Xin-Xian Zhong 《Journal of chemical crystallography》2005,35(11):885-889
The title compound, Cu3(Bipy)2(L1)2(L2)2⋅4H2O, was synthesized in the methanol solution of Bipy and Cu(II) in the presence of 1-((2-sulfonate-ethylimino)-methyl)-2-naphthol
(L1), which was condensation compound of taurine and 2-hydroxy-1-naphthaldehyde. This complex crystallized in the space group
P-1 with a = 9.825(2) ?, b = 12.626(2) ?, c = 14.342(3) ?, α = 90.29(1)∘, β = 100.67(1)∘, γ = 101.67(2)∘, and Z = 2. In the trinuclear Cu(II) complex, there are two type Cu atoms which have square and square pyramid geometries, respectively.
The Cu–N distances vary from 1.965(3) to 2.000(4) ?, while the Cu–O distances are between 1.896(3) and 2.337(4) ?. 相似文献
11.
Quan-Zheng Zhang Guo-Quan Shao Gang Chen Huan Shen Guo-Hui Lu Rang Ping Peng-Fei Xie Yang Jiang Jie Zhang 《Journal of chemical crystallography》2007,37(5):369-373
A new organic-inorganic hybrid γ-octamolybdate complex, (NH4)4[(C3H7NO)2Mo8O26]·2CH3CH2OH·2H2O was synthesized from the mixture of ethanol, DMF, 4-aminobenzoic acid, (NH4)6Mo7O24·4H2O, HCl and H2O. The structure was determined by X-ray crystallography. It crystallizes in monoclinic P21/n space group with the crystal cell parameters of a = 8.8825(4), b = 21.1608(10), c = 11.1343(6) ?, β = 104.7720(10)°, V = 2023.64(17) ?3 and Z = 2. The crystal X-ray analysis shows that two DMF molecules are bound to γ-octamolybdate anion. The molecular structure
is stabilized by the complex hydrogen bonding. 相似文献
12.
Two 1D polymeric complex, [Cu(CBC)2(Dabco)(H2O)]
n
(1) and [Ag2(HBC)2(Dabco)]
n
(2) have been synthesized and characterized by X-ray single crystal analysis, where CBCH is p-chlorobenzoic acid, HBCH 2 is 2-hydroxybenzoic acid and Dabco is 1,4-diazabicyclo[2.2.2]octane. Complex 1 has been obtained in high yield by hydrothermal synthesis from CuO and CBCH and Dabco, and complex 2 has been obtain by evaporation of the solvent from silver salicylate and Dabco, 1 crystallizes in the orthorhombic space group Pmn2
1
with a = 24.3310(5) ?, b = 6.9050(6) ?, c = 5.9980(5) ?, Z = 2, V = 1007.70(4) ?3 and Dx = 1.657 g cm−3, 2 crystallizes in the monoclinic space group P2
1
/m with a = 10.292(3) ?, b = 6.913(2) ?, c = 14.417(4) ?, β = 95.660(5), Z = 2, V = 1020.8(5) ?3 and Dx = 1.959 g cm−3. The final R value is 0.0302 for 1323 measured reflections for 1 and the final R value is 0.0684 for 1545 measured reflections for 2. The atomic arrangement is built by infinite one-dimensional polymeric chain in both complexes. These chains are cross-linked
by hydrogen bonds involving the coordinated water molecules to form a two-dimensional framework in complex 1. 相似文献
13.
A. S. Antsyshkina G. G. Sadikov A. L. Poznyak V. S. Sergienko 《Crystallography Reports》2005,50(3):406-409
A complex of copper(II) with the diethylenetriaminemonopripionate ligand [Cu2(4-Dtmp)2](ClO4)2 (I) is synthesized and characterized using X-ray diffraction. The crystals of compound I are monoclinic, a = 7.740(2) Å, b = 19.199(3) Å, c = 8.449(2) Å, β = 91.61(2)°, Z = 2, and space group P21/n. The structural units of crystal I are centrosymmetric dimeric cations and statistically disordered ClO
4
−
anions. In the cation, the copper atom is coordinated by three N atoms [mean Cu-N, 2.01(1) Å] and two O atoms [Cu-O, 2.134(6)
Å and 1.958(7) Å] of the pentadentate bridging-chelate Dtmp ligand, which occupy vertices of the trigonal bipyramid. The binuclear cations are linked via centrosymmetric pairs of hydrogen
bonds into ribbons aligned parallel to the a axis of the crystal. The ClO
4
−
anions form columns in the same direction. In the crystal, the cationic ribbons and anionic columns alternate in a chessboard
fashion.
__________
Translated from Kristallografiya, Vol. 50, No. 3, 2005, pp. 450–454.
Original Russian Text Copyright ? 2005 by Antsyshkina, Sadikov, Poznyak, Sergienko. 相似文献
14.
Walid Rekik Houcine Na?li Tahar Mhiri Thierry Bataille 《Journal of chemical crystallography》2007,37(2):147-155
The crystal structure of manganese sulfate templated by 1,4-diaza-bicyclo[2.2.2]octane (abbreviated dabco), (C6H14N2)[Mn(H2O)6](SO4)2, was investigated using single crystal X-ray diffraction data. It crystallises in the monoclinic system (space group P21/c) with the following unit-cell parameters: a = 12.1392(2) ?, b = 12.3117(2) ?, c = 12.2765(2) ?, β = 104.607(1)°, V = 1775.47(5) ?3 and Z = 4. The structure has been solved using direct methods and refined by least-squares analysis [R
1 = 0.0381, wR
2 = 0.1082]. The crystal structure of the title compound is built from isolated [Mn(H2O)6]2+ octahedral cations, 1,4-diaza-bicyclo[2.2.2]octandiium cations (C6H14N2)2+ and sulfate anions (SO4)2− connected by a three-dimensional hydrogen-bond network. The thermal decomposition of the precursor, studied by thermogravimetry
and temperature-dependent X-ray powder diffraction, proceeds through four stages giving rise to the mixture of Mn2O3and Mn3O4.
Supplementary Material CCDC 620298 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from
The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif. 相似文献
15.
Feng Guo 《Journal of chemical crystallography》2011,41(10):1505-1509
Abstract
Two pyridinecarboxylato-bridged coordination polymers[Ni(pbc)2(H2O)2]n(1) and {[Ni(pbc) 2 (H2O)]·H2O}n (2)(Hpbc = 3-Pyrid-3-ylbenzoic acid) have been synthesized by the hydrothermal method and characterized by elemental analysis, IR spectrum and single crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a = 9.519(5) ?, b = 9.417(5) ?, c = 11.701?, β = 98.086(5)°, V = 1038.5(9) ?3, Z = 2. Compound 2 crystallizes in monoclinic, space group P21/c with a = 10.490(2) ?, b = 12.920(3) ?, c = 16.074?, β = 95.97(3)°, V = 2166.7(8) ?3, Z = 4. X-ray diffraction analysis reveals that all pbc− ligands act as diconnectors to link two Ni(II) centers and adopt one coordination mode: μ2−N, O in compound 1 and the ligands adopt two coordination modes: μ 2 −N, O and μ 3 − N, O, O in compound 2. 相似文献16.
L. B. Serezhkina A. V. Vologzhanina V. V. Klepov V. N. Serezhkin 《Crystallography Reports》2011,56(2):265-269
Uranyl triacetate complexes (Cs0.5Ba0.25)[UO2(CH3COO)3] (I) and Ba0.5[UO2(CH3COO)3] (II) are synthesized for the first time and their structures are determined by X-ray diffraction. Both compounds crystallize
in the cubic crystal system. The crystal data are as follows: a = 17.3289(7) ?, V = 5203.7(4) ?3, space group I213 and Z = 16 (I); a = 17.0515(8)?, V = 4957.8(4) ?3, space group I
$
\bar 4
$
\bar 4
3d, and Z = 16 (II). In I and II, as in all uranyl triacetates studied earlier, the coordination polyhedron of the uranium atom is a hexagonal bipyramid whose
vertices are occupied by the oxygen atoms of the uranyl and three acetate groups. The uranium-containing group belongs to
the AB
301 (A = UO22+, B
01 = CH3COO−) crystal chemical group of uranyl complexes. It was found that compound II is isostructural to the (Rb0.50Ba0.25)[UO2(CH3COO)3] studied earlier. 相似文献
17.
Anthony E. Vaughn Charles L. Barnes Paul B. Duval 《Journal of chemical crystallography》2007,37(11):779-782
Abstract The title compound trans-UO2(N(SiMe3)2)2(THF)2 (1) was synthesized and characterized by X-ray crystallography. The complex crystallizes in the monoclinic space group C2/c
(#15) with lattice parameters a = 16.0771(5) ?, b = 13.1196(4) ?, c = 16.9391(6) ?, β = 116.853(1)°, V = 3187.61(18) ?3, Z = 4, D
calc = 1.532 g cm-3. The six-coordinate uranium(VI) center adopts an all-trans octahedral geometry consisting of mutually trans oxo groups, silylamido ligands, and neutral THF donors. Structural comparisons of this uranyl(VI) bis(amido) complex with
a related tris(amido) derivative within the series are made based on symmetry, charge, and coordination number.
Graphical Abstract The X-ray crystal structure of the title complex is reported, providing comparisons based on symmetry, charge, and coordination
number with a related uranyl(VI) amido derivative within this series.
相似文献
18.
Lijie Han Xiaochang Sun Yalin Zhu Wanli Zhou Qi Chen Yan Xu 《Journal of chemical crystallography》2010,40(7):579-582
Abstract
Erbium (III) coordination compound with the formula [Er(IN)3(H2O)2]n 1 (HIN = isonicotinic acid) was synthesized by mixing Er2O3 with isonicotinic acid under hydrothermal condition. The structure of the title compound was determined by single crystal X-ray diffraction analysis, which reveals that the 1-D chain-like structure is formed by the erbium polyhedra through the carboxyl groups of IN. It crystallizes in the monoclinic system, possesses space group C2/c, with lattice parameters: a = 20.229(10) ?, b = 11.594(6) ?, c = 9.871(5) ?, α = γ=90°, β = 115.509(6)°, V = 2089.3(18) ?3, and D calc = 1.811 mg/cm3 for Z = 4, F(000) = 1108, GOF = 1.109, R1 = 0.0675. Compound 1 has been characterized by IR absorption spectroscopy, ultraviolet excitation and emission spectrum. 相似文献19.
The crystal structure of a new mineral britvinite Pb7.1Mg4.5(Si4.8Al0.2O14)(BO3)(CO3)[(BO3)0.7(SiO4)0.3](OH, F)6.7 from the Lángban iron-manganese skarn deposit (V?rmland, Sweden) is determined at T = 173 K using X-ray diffraction (Stoe IPDS diffractometer, λMoKα, graphite monochromator, 2θmax = 58.43°, R = 0.052 for 6262 reflections). The main crystal data are as follows: a = 9.3409(8) ?, b = 9.3579(7) ?, c = 18.8333(14) ?, α = 80.365(6)°, β = 75.816(6)°, γ = 59.870(5)°, V = 1378.7(2) ?3, space group P1, Z = 2, and ρcalcd = 5.42 g/cm3. The idealized structural formula of the mineral is represented as [Pb7(OH)3F(BO3)2(CO3)][Mg4.5(OH)3(Si5O14)]. It is demonstrated that the mineral britvinite is a new representative of the group of mica-like layered silicates with
structures in which three-layer (2: 1) “sandwiches” composed of tetrahedra and octahedra alternate with blocks of other compositions,
such as oxide, oxide-carbonate, oxide-carbonate-sulfate, and other blocks. The tetrahedral networks (Si5O14)∞∞ consisting of twelve-membered rings are fragments of the britvinite structure. Similar networks also form crystal structures
of the mineral zeophyllite and the synthetic phase Rb6Si10O23. In the crystal structures under consideration, the tetrahedral networks differ in the rotation of tetrahedra with respect
to the layer plane.
Original Russian Text ? O.V. Yakubovich, W. Massa, N.V. Chukanov, 2008, published in Kristallografiya, 2008, Vol. 53, No.
2, pp. 233–242. 相似文献
20.
Yapeng Shi Xinzhong Lu Feng Fu Ganglin Xue Huaiming Hu Jiwu Wang 《Journal of chemical crystallography》2005,35(12):1005-1010
A novel bifunctionalized arylimido derivative of hexamolybdate [n-Bu4N]2[Mo6O17(o,p-(MeO)2C6H3N)2] (1) was synthesized by self-assembled metathesis of α-type octamolybdate ion and 2,4-dimethoxyaniline and structurally characterized
by crystal X-ray diffraction. Crystallographic data for1: monoclinic system, space group:C2/c,a = 17.319(4),b = 18.087(4),c = 21.357(5) ?, β = 106.486(4),V = 6415(2) ?3, andZ = 4,Dc = 1.693 g/cm3,R1 = 0.0439. The complex has a short Mo–N bond length of 1.735(5) ? and an imido (Mo–N–C) bond angle of 177.8(4)∘. The complex has also been characterized by1H NMR, IR, and UV–vis spectroscopy. 相似文献