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1.
Annamária Krajníková Róbert Gyepes Katarína Gy?ryová Jan ?ubrt Ján Imrich 《Journal of chemical crystallography》2011,41(7):1036-1043
Abstract
The binuclear zinc complex bis(2-bromobenzoato-O)-bis(μ 2 -2-bromobenzoato-O,O′)-bis(phenazone-O)-dizinc(II) (I) and the mononuclear dihydrate bis(2-bromobenzoato-O)-bis(thiourea-S)-zinc(II) (II) have been synthesized and characterized by means of elemental analysis and spectroscopic methods (IR, 1H and 13C NMR, EDS). The solid state structures of both compounds were determined by single-crystal X-ray diffractometry. Compound [Zn(2-BrC6H4COO)2(phen)]2 (phen—phenazone) (I) crystallized as a dimeric compound with a triclinic lattice (space group P − 1), where both zinc atoms, interconnected by two carboxylate groups, possess a distorted tetrahedral coordination environment. The crystallographic data of complex I: a = 9.9410(3) ?, b = 10.7309(3) ?, c = 12.9237(4) ?, α = 93.6004(17)°, β = 92.5898(11)°, γ = 116.2192(16)°, V = 1230.26(6) ?3, Z = 1. Complex [Zn(2-BrC6H4COO)2(tu)2]·2H2O (tu—thiourea) (II) crystallized with an orthorhombic lattice (space group Aba2) as a monomeric compound, where the coordination environment of the central zinc atom is a distorted tetrahedron. The crystallographic data of complex II are: a = 9.8595(3) ?, b = 19.7052(5) ?, c = 12.5908(3) ?, V = 2446.18(11) ?3, Z = 4. The modes of the carboxylate binding were assigned from the IR spectra using the magnitude of the separation between the carboxylate stretches (Δ), which correlated well with the crystal structures. The computed theoretical IR spectrum agreed well with the experimental data. 相似文献2.
L. B. Serezhkina A. V. Vologzhanina N. A. Neklyudova V. N. Serezhkin 《Crystallography Reports》2009,54(3):449-454
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 R
1 = 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 A
4
M
23
M
22
K
02
B
201
M
21 (A = UO22+, M
3 = O2−, M
2 = OH−, K
02 = C2O42−, B
01 = CH3COO−, M
1 = 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
3.
[NH3(CH2)3NH3]2[Ni(HP2O7)2(H2O)2] 4H2O (NiDAP) is a new diphosphate of transition metallic and organic cations obtained from a mixture of H4P2O7, 2NiCO3 Ni(OH)2 4H2O and NH2(CH2)3NH2 in a 1:1/6:1 molar ratio. This mixed organo-mineral compound crystallizes in the triclinic system, P¯, with the unit cell dimensions: a = 7.3678(3)~Å, b = 7.8018(5)Å, c = 11.1958(7)Å, = 76.914(4), = 81.052(4), = 85.46(1), V = 618.57(6)Å3 and Z = 1. The crystal structure of NiDAP consists of a complex anion, [Ni(HP2O7)2(H2O)2]4– and a diammoniumpropane cation. The complex anion is built up from two neutral water molecules (OW1) and two diphosphosphoric anions coordinated to Ni(II) in a bidentate chelating manner. (OW1) molecules link anionic complexes, [Ni(HP2O7)2(H2O)2]4– to create a thick bidimensional layers parallel to the (a, b) plane. These layers are interconnected in three dimensions through hydrogen bonds established between organic cations, the remaining water molecules OW2, OW3, and some external oxygen atoms of the anionic complex arrays. NiDAP was also characterized by IR spectroscopy, TG-DTA, and DSC analyses. 相似文献
4.
《Journal of chemical crystallography》2011,41(7):1077-1084
Abstract
The crystal structures of two zinc(II) 4-chloro- and 5-chlorosalicylate complexes, [Zn(4-ClC6H3-2-(OH)COO)2(H2O)4]·2tph·(H2O)2 (I) and [Zn(5-ClC6H3-2-(OH)COO)2(ina)2(H2O)] (II), where tph is theophylline and ina is isonicotinamide, have been determined using X-ray diffraction methods. Crystals of both (I) and (II) are triclinic, space group P-1, with Z = 1 in a cell with a = 7.2220(3), b = 8.59700(10), c = 16.0210(5) ?, α = 75.990(2), β = 83.959(2), γ = 68.455(2)°, V = 897.54(5) ?3 (I) and with Z = 2 in a cell with a = 11.4148(11), b = 11.5327(10), c = 12.0685(13) ?, α = 63.458(6), β = 87.547(8), γ = 89.387(7)°, V = 1419.9(2) ?3 (II). The coordination environment of the zinc(II) atom of compound (I) consists of two unidentate carboxylate oxygen atoms and four oxygen atoms of aqua ligands, forming a distorted octahedral configuration. Two theophylline molecules and the remaining water molecules are bound only by hydrogen bonds. The Zn atom of compound (II) is pentacoordinated with two unidentate carboxylate oxygen atoms, two pyridine nitrogen atoms of isonicotinamide ligands, and the oxygen atom of the aqua ligand, forming a distorted configuration between square pyramid and trigonal bipyramid. In both complexes intramolecular O–H···O hydrogen-bonding interactions are present. In the crystal structures, molecules are linked by intermolecular O–H···O and N–H···O hydrogen bonds. The structures are analyzed and compared to the similar Zn(II) complexes, with the chromophores ZnO6 and ZnO3N2. 相似文献5.
Muhammad Altaf Helen Stoeckli-Evans Saeed Ahmad Anvarhusein A. Isab Abdul Rahman Al-Arfaj Muhammad Riaz Malik Saqib Ali 《Journal of chemical crystallography》2010,40(12):1175-1179
Abstract
The title compound was prepared by reacting mercury(II) cyanide and tetramethylthiourea (Tmtu) in the molar ratio of 1:1.75. It was characterized by IR and NMR (1H and 13C) spectroscopy, and X-ray crystallography. The appearance of a band around 2,200 cm−1 in IR and a resonance around 145 ppm in 13C NMR indicated the binding of cyanide to mercury(II). The crystal structure of the title complex, [{(tetramethylthiourea)2Hg(CN)2}2·Hg(CN)2] (1) consists of two independent [(Tmtu)2Hg(CN)2] moieties bridged by a Hg(CN)2 unit. The mercury atom in [(Tmtu)2Hg(CN)2] unit is coordinated to two thione sulfur atoms of Tmtu and to two cyanide carbon atoms in a distorted tetrahedral mode. 相似文献6.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets A. G. Verevkin D. V. Pushkin 《Crystallography Reports》2009,54(2):259-266
Single crystals of the compounds (C3N6 H7)4(CN3H6)2[UO2(CrO4)4] · 4H2O (I) and (H3O)6[UO2(CrO4)4] (II) are synthesized, and their structures are investigated using X-ray diffraction. Compound I crystallizes in the triclinic system with the unit cell parameters a = 6.3951(8) ?, b = 10.8187(16) ?, c = 16.9709(18) ?, α = 93.674(4)°, β = 97.127(4)°, γ = 92.020(4)°, space group, P
Z = 1, V = 1161.6(3) ?3, and R = 0.0470. Crystals of compound II belong to the monoclinic system with the unit cell parameters a = 14.3158(4) ?, b = 11.7477(3) ?, c = 13.1351(4) ?, β= 105.836(1)°, space group C2/c, Z = 4, V = 2125.2(1) ?3, and R = 0.0213. The uranium-containing structural units of crystals I and II are mononuclear anionic complexes of the composition [UO2(CrO4)4]6− with an island structure, which belong to the crystal-chemical group Am
14 (A = UO2+2, M
1 = CrO2−4) of the uranyl complexes. The [UO2(CrO4)4]6− anionic complexes are joined into a three-dimensional framework through the electrostatic interactions with outer-sphere
cations and a system of hydrogen bonds.
Original Russian Text ? L.B. Serezhkina, E.V. Peresypkina, A.V. Virovets, A.G. Verevkin, D.V. Pushkin, 2009, published in
Kristallografiya, 2009, Vol. 54, No. 2, pp. 284–290. 相似文献
7.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets A. G. Verevkin D. V. Pushkin 《Crystallography Reports》2009,54(1):63-67
Single crystals of the compound K8[(UO2)2(C2O4)2(SeO4)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 = 14.9290(4) ?, b = 7.2800(2) ?, c = 15.3165(4) ?, β = 109.188(1)°, V = 1572.17(7) ?3, space group P21/n, Z = 2, and R = 0.0297. The uranium-containing structural units of crystals I are dimers of the composition [(UO 2)2(C2O4)2(SeO4)4]8−, which belong to the crystal-chemical group AB
01
B
2
M
1 (A = UO22+, B
01 = C2O42−, B
2 = SeO42−, M
1 = SeO42−) of the uranyl complexes. The [(UO2)2(C2O4)2(SeO4)4]8− dimers are joined into a three-dimensional framework through electrostatic interactions with the outer-sphere potassium cations.
Original Russian Text ? L.B. Serezhkina, E.V. Peresypkina, A.V. Virovets, A.G. Verevkin, D.V. Pushkin, 2009, published in
Kristallografiya, 2009, Vol. 54, No. 1, pp. 68–71. 相似文献
8.
Shishir Ghosh Faruque Ahmed G. M. Golzar Hossain Daniel T. Haworth Shariff E. Kabir 《Journal of chemical crystallography》2009,39(10):702-707
Abstract Treatment of [Re2(CO)8(MeCN)2] with excess 1-vinylimidazole in refluxing benzene gives three new compounds [Re2(CO)9{η
1-NC3H3N(CH=CH2)}] (1), [Re2(CO)8{η
1-NC3H3N(CH=CH2)}2] (2) and [ReCl2(CO)2{η
1-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 η
1-1-vinylimidazole ligands and two terminal Cl ligands.
Graphical Abstract Two dinuclear complesxes [Re2(CO)9{η
1-NC3H3N(CH=CH2)}] (1) and [Re2(CO)8{η
1-NC3H3N(CH=CH2)}2] (2) and the mononuclear [ReCl2(CO)2{η
1-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
9.
Abstract
The synthesis and crystal structure of the dinuclear manganese (II) compound [Mn2(bpy)4(2-ClC6H4COO)2](ClO4)2·2EtOH is described. The complex crystallizes in the monoclinic system, space group P21/n with a = 12.2067(18), b = 17.335(3), c = 13.706(3) ? and β = 92.606(8)°. In this structure, two manganese ions are bridged by two 2-chlorobenzoate ligands in a syn–anti mode. The hexa-coordination of each manganese is completed by two 2,2′-bipyridine ligands. Two perchlorate anions and two molecules of ethanol complete the packing. In order to check the magnetic properties previously reported from a powder sample, new magnetic studies have been carried out from a crystal sample, obtaining J = −1.79 cm−1 and g = 2.00 (H = −JS 1 ·S 2 ). 相似文献10.
L. B. Serezhkina A. V. Vologzhanina N. A. Neklyudova V. N. Serezhkin 《Crystallography Reports》2009,54(1):59-62
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 A
2
K
02
B
401 (A = UO22+, K
02 = C2O42−, B
01 = 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
11.
Dongmei Shi Mixia Hu Chunjing Zhang Jia Li Yaguang Chen 《Journal of chemical crystallography》2008,38(9):695-700
Abstract A novel polyoxometalate compound consisting of Anderson-type anions and trivalent lanthanide cations, [Er2(H2O)14Cr(OH)6Mo6O18][Cr(OH)6Mo6O18]·14H2O (1), has been synthesized in aqueous solution and characterized by single crystal X-ray diffraction, elemental analyses, IR
spectrum and TG analyses. Single crystal X-ray diffraction reveals that compound 1 crystallizes in the triclinic space group P-1 with a = 11.046 (5) ?, b = 11.653 (5) ?, c = 13.935 (5) ?, α = 75.006 (5)°, β = 84.497(5)°, γ = 89.515(5)°. The bulk ions of compound 1 in the cell unit exhibit orthorhombic C-centered packing mode, the eight [Cr(2)(OH)6Mo6O18]3− anions occupy the eight corners and the two [Er2(H2O)14Cr(OH)6Mo6O18]3+ cations occupy the centres of two opposite faces, whereas anions and cations are linked together via hydrogen bonding interactions
tightly forming a three-dimensional supramolecular architecture, which contains one-dimensional channels occupied by free
water molecules.
Index Abstract The bulk ions of compound 1 in the cell unit exhibit orthorhombic C-centered packing mode, the eight [Cr(2)(OH)6Mo6O18]3− anions occupy the eight corners and the two [Er2(H2O)14Cr(OH)6Mo6O18]3+ cations occupy the centres of two opposite faces, whereas anions and cations are linked together via hydrogen bonding interactions tightly forming a three-dimensional supramolecular architecture, which contains one-dimensional
channels occupied by free water molecules.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
12.
Jin-Min Li 《Journal of chemical crystallography》2009,39(2):128-130
Abstract Hydrated zinc perchlorate reacted with sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone (L) in methanol solution and
resulted in the formation of a new binuclear complex: [Zn2(μ-N3)2(N3)2(L)2]. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray
crystallography and the complex crystallizes in the monoclinic system with space group P21/c and a = 11.409(2), b = 8.0733(15), c = 18.163(3) Ǻ, β = 99.095(3)°. In the complex two azide anions act as bridge ligand and another two azide anion and two 1-(1,10-phenanthrolin-2-yl)-2-pyridone
function as terminal ligands, and Zn(II) ion lies in a distorted triangle bipyramid geometry.
Index Abstract The title binuclear Zn(II) complex was synthesized by zinc perchlorate, sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone
and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that azide anion function as both
bridge ligand and terminal ligand, and 1-(1,10-phenanthrolin-2-yl)-2-pyridone only acts as a terminal ligand. 相似文献
13.
Amanda L. Peretich Donna S. Amenta John W. Gilje Glenn P. A. Yap 《Journal of chemical crystallography》2010,40(8):716-719
Abstract
Magnesium aluminum isopropoxide coordinates two solvent molecules when crystallized from dimethylformamide yielding the title compound, [Me2NCH(O)]2Mg[(μ-OPr i )2Al(OPr i )2]2, a potential CVD and sol–gel precursor of spinel, MgAl2O4: monoclinic, P21/c, a = 18.876(3) ?, b = 12.5225(19) ?, c = 18.578(3) ?, β = 108.333(2)°, V = 4168.6(11) ?3, Z = 4, Mg[(μ-OPr i )2Al(OPr i )2]2. 相似文献14.
Shishir Ghosh Faruque Ahmed Rafique Al-Mamun Daniel T. Haworth Sergey V. Lindeman Tasneem A. Siddiquee Dennis W. Bennett Shariff E. Kabir 《Journal of chemical crystallography》2009,39(8):595-602
Abstract Treatment of Mn2(CO)10 with 2-thiazoline-2-thiol in the presence of Me3NO at room temperature afforded the dimanganese complexes [Mn2(CO)7(μ-NS2C3H4)2] (1) and [Mn2(CO)6(μ-NS2C3H4)2] (2) in 51 and 34% yields, respectively. Compound 1 was quantitatively converted into 2 when reacted with one equiv of Me3NO. Reaction of 1 with triphenylphosphine at room temperature furnished the mononuclear complex [Mn(CO)3(PPh3)(κ
2-NS2C3H4)] (3) in 66% yield. All three new complexes have been characterized by elemental analyzes and spectroscopic data together with
single crystal X-ray diffraction studies for 1 and 3. Compound 1 crystallizes in the orthorhombic space group Pbca with a = 12.4147(2), b = 16.2416(3), c = 19.0841(4) ?, β = 90°, Z = 8 and V = 3848.01(12) ?3 and 3 crystallizes in the monoclinic space group P 21/n with a = 10.41730(10), b = 14.7710(2), c = 14.9209(2) ?, β = 91.1760(10)°, Z = 4 and V = 2295.45(5) ?3.
Graphical Abstract Two new dimanganese complexes [Mn2(CO)7(μ-NS2C3H4)2] (1) and [Mn2(CO)6(μ-NS2C3H4)2] (2) were formed when [Mn2(CO)10] was treated with 2-thiazoline-2-thiol in the presence of Me3NO. Compound 2 reacts with PPh3 to give the monomeric complex [Mn(CO)3(PPh3
)(κ
2-NS2C3H4)]. The structures of 1 and 3 were established by crystallography. Shishir Ghosh, Faruque Ahmed, Rafique Al-Mamun, Daniel T. Haworth, Sergey V. Lindeman,
Tasneem A. Siddiquee, Dennis W. Bennett, Shariff E. Kabir Investigations of 2-thiazoline-2-thiol as a ligand: Synthesis and
X-ray structures of [Mn2(CO)7(μ-NS2C3H4)2] and [Mn(CO)3
(PPh3)(κ
2-NS2C3H4)].
相似文献
15.
Abstract
A cyano-bridged bimetallic assembly, [MnIII(salen)]2[FeII(CN)5NO]·2H2O [salen = N,N′-1,2-ethylenebis(salicylideneiminato)dianion], has been prepared and characterized structurally and magnetically. It crystallizes in the tetragonal space group P4/ncc with a = b = 14.813(2) ?, c = 17.093(5) ?, V = 3750.6(13) ?3, Z = 4. In this complex, each [Fe(CN)5NO]2− unit connects four [Mn(salen)]+ units with its four co-planar cyanide groups, and each [Mn(salen)]+ unit is linked to two [Fe(CN)5NO]2− ions in trans-form, which results in a two-dimensional (2-D) network consisting of pillow-like octanuclear [–FeII–CN–MnIII–NC–]4 units with dimensions: Fe–C = 1.943(3) ?, C≡N– = 1.139(4) ?, Mn–N = 2.326(3) ?, Fe–C≡N = 178.0(3)°, Mn–N≡C = 161.7(3)°. The NO group of [Fe(CN)5NO]2− remains monodentate and the bond angle of Fe–N–O is linear (180.0°). The variable temperature magnetic susceptibilities, measured in the 1.8–300 K range, show a weak MnIII···MnIII antiferromagnetic interaction through the diamagnetic –NC–FeII–CN– bridges. 相似文献16.
Guo-Fang Zhang Mei-Yu Cai Ping Jing Chong He Ping Li Feng-Qi Zhao Ji-Zhen Li Xue-Zhong Fan Seik Weng Ng 《Journal of chemical crystallography》2010,40(3):278-282
Abstract
Two transition-metal compounds derived from 2,4-dinitroimidazole, {[Ni(DNI)2(H2O)3][Ni(DNI)2(H2O)4]}·6H2O, 1, and Pb(DNI)2(H2O)4, 2, were characterized by elemental analysis, FT-IR, TG-DSC and X-ray single-crystal diffraction analysis. Crystal data for 1: monoclinic, space group C2/c, a = 26.826(3), b = 7.7199(10), c = 18.579(2) ?, β = 111.241(2)° and Z = 4; 2: monoclinic, space group C2/c, a = 6.5347(6), b = 17.1727(17), c = 14.1011(14) ?, β = 97.7248(10) and Z = 4. Compound 1 contains two isolated nickel centers in its structure, one being six-coordinate and another five-coordinate. The structure of 2 contains a lead (II) center surrounded by two chelating DNI ligands and four water molecules in distorted square-antiprism geometry. The abundant hydrogen bonds in two compounds link the molecules into three-dimensional network and stabilize the molecules. The TG-DSC analysis reveals that the first step is the loss of water molecules and the final residue is the corresponding metal oxides and carbon. 相似文献17.
Three Sr2+ compounds with the Edta
4− and H2
Edta
2− ligands—Sr2(Edta) · 5H2O (I), Sr2(H2
Edta)(HCO3)2 · 4H2O (II), and Sr2(H2
Edta)Cl2 · 5H2O (III)—are synthesized, and their crystal structures are studied. In I, the Sr(1) atom is coordinated by the hexadentate Edta
4− ligand following the 2N + 4O pattern and by two O atoms of the neighboring ligands, which affords the formation of zigzag
chains. The Sr(2) atom forms bonds with O atoms of five water molecules and attaches itself to a chain via bonds with three
O atoms of the Edta
4− ligands. The Sr(1)-O and Sr(2)-O bond lengths fall in the ranges 2.520(2)–2.656(3) and 2.527(3)–2.683(2) ?, respectively.
The Sr(1)-N bonds are 2.702(3) and 2.743(3) ? long. In II and III, the H2
Edta
2− anions have a centrosymmetric structure with the trans configuration of the planar ethylenediamine fragment. The N atoms are blocked by acid protons. In II, the environment of the Sr atom is formed by six O atoms of three H2
Edta ligands, two O atoms of water molecules, and an O atom of the bicarbonate ion, which is disordered over two positions. In
III, the environment of the Sr atom includes six O atoms of four H2
Edta
2− ligands and three O atoms of water molecules. The coordination number of the Sr atoms is equal to 8 + 1. In II and III, the main bonds fall in the ranges 2.534(3)–2.732(2) and 2.482(2)–2.746(3) ?, whereas the ninth bond is elongated to 2.937(3)
and 3.055(3) ?, respectively. In II, all the structural elements are linked into wavy layers. The O-H…O interactions contribute to the stabilization of the layer
and link neighboring layers. In III, hydrated Sr2+ cations and H2
Edta
– anions form a three-dimensional [Sr2(H2
Edta)(H2O)3]
n
2n+ framework. The Cl− anions are fixed in channels of the framework by hydrogen bonds with four water molecules. In II and III, the N-H groups form four-center N-H…O3 hydrogen bonds, which include one intermolecular and two intramolecular components. PACS numbers: 61.66.Hq
Original Russian Text ? I.N. Polyakova, A.L. Poznyak, V.S. Sergienko, 2009, published in Kristallografiya, 2009, Vol. 54,
No. 2, pp. 262–267. 相似文献
18.
M. S. Grigor’eva A. é. Voloshin E. B. Rudneva V. L. Manomenova S. N. Khakhanov V. Ya. Shklover 《Crystallography Reports》2009,54(4):637-644
The K2Co(SO4)2 · 6H2O-K2Ni(SO4)2 · 6H2O system has been studied, and a series of K2Ni(SO4)2 · 6H2O/K2Co(SO4)2 · 6H2O bicrystals have been grown. The processes of defect formation at the substrate/layer interface K2Co(SO4)2 · 6H2O/K2Ni(SO4)2 · 6H2O are studied by probe microanalysis, X-ray topography, and optical microscopy. It is found that inclusions and threading
dislocations are formed at the interface, due to which elastic stresses relax in the crystal. Nickel is nonuniformly distributed
in the layer; its concentration decreases with an increase in the layer thickness, which is indicative of substrate dissolution
in the initial stage of interaction. A way for the elastic mismatch stresses to relax in heterostructures of brittle crystals
obtained from solutions at low temperatures is proposed which implies the formation of inclusions at the substrate/layer interface.
Original Russian Text ? M.S. Grigor’eva, A.é. Voloshin, E.B. Rudneva, V.L. Manomenova, S.N. Khakhanov, V.Ya. Shklover, 2009,
published in Kristallografiya, 2009, Vol. 54, No. 4, pp. 679–687. 相似文献
19.
Zuzana Bujdo?ová Katarína Gy?ryová Milan Melník Marian Koman Jana Ková?ová 《Journal of chemical crystallography》2011,41(4):443-448
Abstract
Two ligand isomers [Zn{4-ClC6H3-2-(OH)COO}2(Menia)2(H2O)2] (I) and [Zn{5-ClC6H3-2-(OH)COO}2(Menia)2(H2O)2] (II) (Menia = N-methylnicotinamide) were prepared and characterized by elemental analysis, IR spectroscopy and thermal analysis. The X-ray crystal structures of complexes (I) and (II) were determined. Compound (I) crystallizes in the triclinic space group P[`1] P\bar{1} with a = 8.105(1) ?, b = 10.036(2) ?, c = 10.545(2) ?, α = 109.088(9)°, β = 91.416(8)°, γ = 102.757(9)°, V = 786.2(2) ?3, Z = 1. Compound (II) crystallizes in the triclinic space group P[`1] P\bar{1} . Its cell parameters are: a = 8.133(1) ?, b = 10.119(2) ?, c = 10.428(1) ?, α = 66.44(1)°, β = 74.32(1)°, γ = 80.16(1)°, V = 755.5(2) ?3, Z = 1. The molecular structure of both isomers is monomeric. Each Zn(II) atom is hexacoordinated by three pairs of unidentate ligands in trans-positions (ZnO4N2). The 5-Clsal complex is somewhat less distorted than 4-Clsal complex (Cl-sal = chlorosalicylate). The structural data are compared with those found in similar [Zn(RCOO)2(NL)2(H2O)2]. 相似文献20.
L. B. Serezhkina M. S. Grigor’ev I. S. Kuz’menko V. N. Serezhkin 《Crystallography Reports》2012,57(2):258-263
Compounds K2[UO2(C3H2O4)2] · H2O (I) and Rb2[UO2(C3H2O4)2] · H2O (II) are synthesized and their crystal structures are determined by X-ray diffraction. The compounds crystallize in the monoclinic
crystal system; for I, a = 7.1700(2) ?, b =12.3061(3) ?, c = 14.3080(4) ?, β = 95.831(2)°, space group P21/n, Z = 4, and R = 0.0275; for II, a = 7.1197(2) ?, b = 12.6433(4) ?, c = 14.6729(6) ?, β = 96.353(2)°, space group P21/n, Z = 4, and R = 0.0328. It is found that I and II are isostructural. The main structural units of the crystals are the [UO2(C3H2O4)2]2− chains, which belong to the AT
11
B
01 (A = UO22+, T
11, and B
01 = C3H2O42−) crystal chemical group of uranyl complexes. The chains and alkali metal ions R (R = K or Rb) are connected by electrostatic interactions and hydrogen bonds. Some specific structural features of [UO2(C3H2O4)2]2− complex groups are discussed. 相似文献