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1.
Haixing Liu Jing Wang Yufeng Li Fangfang Jian 《Journal of chemical crystallography》2011,41(9):1254-1257
Abstract
A new decavanadate metal complex [Fe(phen)3]2·[V10O28]·15H2O (phen = 1,10-phenanthroline) has been synthesized from a hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The crystal structure analysis reveals that the polyoxoanions are decorated with the [Fe(phen)3]3+ cations, and that the water molecules play the bridge role on the packing modes. They are further contacted to form supramolecular networks through extensive hydrogen bonding. 相似文献2.
J. N. Burvikova I. V. Lin’ko N. U. Venskovskiy V. B. Rybakov 《Crystallography Reports》2007,52(2):221-225
The structure of a single crystal of tetraammindioxoosmium(VI) sulfate [OsO2(NH3)4]SO4 · H2O, which is synthesized by the reaction of K2[OsO2(OH)4] with (NH4)2SO4 in an aqueous solution, is investigated using X-ray diffraction analysis. The compound crystallizes in the monoclinic crystal system, space group P21/c, a = 13.102(2) Å, b = 6.158(3) Å, c = 11.866(2) Å, β = 98.13(2)°, and Z = 4. The [OsO2(NH3)4]SO4 · H2O compound has an island structure. Two crystallographically independent osmium atoms are situated at the centers of symmetry, and their octahedral coordination includes two oxygen atoms and four nitrogen atoms of the ammonia molecules. In both octahedra, the osmyl group is linear. The Os-O distances in the octahedra are identical within the standard deviations [Os(1)-O, 1.762(2) Å; Os(2)-O, 1.769(2) Å]. The Os-N bond lengths vary from 2.082(3) to 2.101(3) Å. The cationic complexes, SO4 groups, and water molecules are linked via the system of hydrogen bonds. The assignment of the absorption bands in the IR spectrum of the compound synthesized is performed, and its thermal behavior in air is studied. 相似文献
3.
O. V. Rudnitskaya E. K. Kultyshkina A. I. Stash A. A. Glukhova N. U. Venskovskiĭ 《Crystallography Reports》2008,53(4):608-612
The complex [(NH2)2CSSC(NH2)2]2[OsBr6]Br2 · 3H2O is synthesized by the reaction of K2OsBr6 with thiocarbamide in concentrated HBr and characterized using electronic absorption and IR absorption spectroscopy. Its crystal structure is determined by X-ray diffraction. The crystals are orthorhombic, a = 11.730(2) Å, b = 14.052(3) Å, c = 16.994(3) Å, space group Cmcm, and Z = 4. The [OsBr6]2? anionic complex has an octahedral structure. The Os-Br distances fall in the range 2.483–2.490 Å. The α,α′-dithiobisformamidinium cation is a product of the oxidation of thiocarbamide. The S-S and C-S distances are 2.016 and 1.784 Å, respectively. The H2O molecules, Br?ions, and NH2 groups of the cation are linked by hydrogen bonds. 相似文献
4.
Yun Guo Miao Zhang Liang Shen Ying-Ying Jin Zhi-Min Jin 《Crystallography Reports》2010,55(7):1194-1197
The reaction of 2,6-dimethylpyridine with SbCl3 and HCl affords the title compound, the structure of which is ascertained by X-ray diffraction. The unit cell consists of
one bridged Sb2Cl82− anion and two 2,6-dimethylpyridinium cations. The trivalent antimony ion is bonded not only directly to chlorine anions,
but also is coordinated with chlorine anions by secondary bonds. In the crystal, there exists infinite coordinated chains
of [Sb2Cl8]
n
2n− anions running along the a axis, which link 2,6-dimethylpyridinium cations by N-H…Cl hydrogen bonds. 相似文献
5.
Abstract
Water-soluble derivative of formononetin, [Na(H2O)1.5][Na(H2O)3.5] X2·2H2O(X = 4′-methoxy-7-hydroxyisoflavone-3′-sulfonate) was synthesized by sulfonation reaction. It was characterized by IR, 1H NMR and single-crystal X-ray diffraction analysis. Single-crystal X-ray diffraction analysis showed that the title compound crystallized in a triclinic space group P-1 with cell parameters a = 6.9642(15) ?, b = 13.343(3) ?, c = 20.634(5) ?, α = 107.115(3)˚, β = 93.121(4)˚, γ = 91.911(3)˚, V = 1827.3(7) ?−3, D c = 1.575 Mg m −3, Z = 2. There are two conformers of 4′-methoxy-7-hydroxyisoflavone-3′-sulfonate anions, two kinds of sodium cations, five coordinated water molecules and two lattice water molecules in the crystal structure. The sodium atoms coordinated with the oxygen atoms from water molecules, hydroxyl groups and sulfo-groups to form a Na–O coordinated network. Aromatic π···π stacking interactions and hydrogen bonding existed in the crystal structure of title compound, which together with coordinated interactions and electrostatic interactions between sodium cations and anions sulfonates C16H10O4SO3 − lead to the moieties into a three-dimensional network. 相似文献6.
L. B. Serezhkina A. V. Vologzhanina E. S. Klynin A. A. Korlyukov I. K. Moiseev V. N. Serezhkin 《Crystallography Reports》2012,57(2):252-257
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 AB
01
2
M
1
2 (A = UO2
2+, B
01 = NO3−, M
1 = 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
7.
Abstract
The synthesis and crystal structure are presented for the ethylenediammonium bis iodate tetra iodic acid. An X-ray investigation has shown that this compound crystallizes in a centrosymmetric monoclinic system, space group P21/c with the lattice parameters: a = 7.2536(2) ?, b = 18.5351(5) ?, c = 7.5685(2) ?, β = 107.937(1)°, V = 968.10(3) ?3. The structure was solved from 5281 independent reflections with R 1 = 0.0229 and wR 2 = 0.0428, and refined with 156 parameters. The structure is built up of [(CH2)2(NH3)2]2+ cations connected to the one-dimensional [HIO3]n chains and to the [H2I4O12]2− clusters by a weak N–H···O hydrogen bonds. 相似文献8.
Saeed Ahmad Muhammad Nawaz Tahir Hafza Mariyam Javaid Muhammad Monim-ul-Mehboob Muhammad Ashraf Shaheen Rashid Mahmood 《Journal of chemical crystallography》2012,42(4):401-404
Abstract
A cyanido-bridged Cu(II)–Ag(I) bimetallic complex, [Cu(Imidazole)4{Ag(CN)2}2] has been prepared and structurally characterized. The compound crystallizes in the orthorhombic space group Pmna. The crystal structure of the complex consists of trinuclear molecules made up of one [Cu(Imidazole)4]+2 and two [Ag(CN)2]− units. The trinuclear molecules are interlinked to each other through N–H–N and C–H–N hydrogen bonds. The Cu(II) ions are located on mirrors and assume distorted octahedral geometry with the basal plane consisting of four imidazole N-atoms. 相似文献9.
Abstract
A 2D supramolecular compound [Co(phth)(phen) (H2O)3]·H2O has been synthysized by the reactions of Co(NO3)2·6H2O, 1, 10-phenanthroline(phen) and phthalate acid(H2phth) in NaOH solution with pH 7.0.The complex has been characterized by elemental analysis, IR, and single-crystal X-ray diffraction analysis which shows it belongs the monoclinic space group P2(1)/n, a = 7.571(2) ?, b = 13.737(3) ?, c = 20.015(4) ?, β = 95.56(1)°. V = 2071.9(8) ?3, Mr = 475.31, Dc = 1.524 g/cm−3, Z = 4, F(000) = 980, μ(MoKa) = 0.879 mm−1. The final R1 and wR2 are 0.0348 and 0.0711, respectively. The cobalt(II) ion is six-coordinated in a distorted octahedron to form a unit. Every unit is connected by hydrogen bonds forming 1D chain and 2D supramolecular network by π–π stacking interaction between adjoining chains. 相似文献10.
Yu. N. Burvikova I. V. Lin’ko N. U. Venskovskiĭ V. B. Rybakov 《Crystallography Reports》2007,52(5):801-804
The synthesis and X-ray diffraction study of the compound K2[OsO2(C2O4)2] · 2H2O are performed. The compound crystallizes in the triclinic crystal system, space group P \(\bar 1\), a = 6.545(1) Å, b = 6.835(2) Å, c = 7.595(2) Å, α = 85.76(2)°, β = 65.33(2)°, γ = 71.14(2)°, and Z = 1. The osmium atom is located at the center of symmetry and has a distorted octahedral coordination formed by oxygen atoms: two oxygen atoms of the osmyl group occupy the apical positions [Os-O, 1.730(2) Å], and four oxygen atoms of the oxalate ions lie in the equatorial plane. The K+ cation is surrounded by ten oxygen atoms located at different K-O distances in the range from 2.787(2) to 3.158(2) Å. The assignment of the absorption bands in the IR spectrum of K2[OsO2(C2O4)2] · 2H2O is performed. The electronic absorption spectra of the compound are recorded in different solvents, and the thermal behavior in air is studied. 相似文献
11.
N. V. Zubkova D. Yu. Pushcharovskii G. Giester E. Tillmanns I. V. Pekov O. D. Krotova 《Crystallography Reports》2004,49(6):964-968
The crystal structure of the mineral byelorussite-(Ce) NaMnBa2Ce2Ti2Si8O26(F,OH) · H2O belonging to the joaquinite group was solved and refined to R = 0.033 based on 4813 reflections with I > σ2(I). The parameters of the orthorhombic unit cell are a = 22.301(4) Å, b = 10.514(2) Å, c = 9.669(2) Å, V = 2267.1(8) Å3, sp. gr. Ama2, and Z = 4. The structure is composed of three-layer sheets, which consist of dimers of edge-sharing Ti octahedra located between isolated four-membered [Si4O2] rings. The sheets are linked to each other by Mn 5-vertex polyhedra to form a heteropolyhedral framework. Large cavities in the framework are occupied by Na 6-vertex polyhedra, Ba 11-vertex polyhedra, and REE 9-vertex polyhedra. 相似文献
12.
Xuda Wang Yunhe Xu Xueyan Song Licun Li Daizheng Liao Zonghui Jiang Shiping Yan 《Journal of chemical crystallography》2007,37(10):651-654
A novel iron (II) complex of formula [Fe3(2,2′-bipy)6(ox)3]·12.25H2O (2,2′-bipy = 2,2′-bipyridine, ox = oxalate) has been prepared and structurally characterized by X-ray crystallography. In the complex, the metal atoms are six-coordinated in distorted octahedral environment. In the complex [Fe(ox)3]4? anions and water molecules are linked together into 1D chain structure by hydrogen interaction. The red crystal of the complex is monoclinic, space group P21/c, with a = 22.932(6) Å, b = 13.715(4) Å, c = 22.493(6) Å, β = 93.177(5)°, and V = 7063(3) Å3 with Z = 4. 相似文献
13.
A. G. Verevkin A. V. Vologzhanina L. B. Serezhkina V. N. Serezhkin 《Crystallography Reports》2010,55(4):602-608
The compound Rb2[(UO2)2(CrO4)3(H2O)2] · 4H2O was studied by X-ray diffraction. The crystals are monoclinic, a = 10.695(2) Å, b = 14.684(3) Å, c = 14.125(3) Å, β = 108.396(4)°, sp. gr. P21/c, Z = 4, V = 2104.9(7) Å3, and R = 0.0491. The main structural units are layers consisting of [(UO2)2(CrO4)3(H2O)2]2? anions belonging to the crystal-chemical group A 2 T 2 3 B 2M 2 1 (A = UL 2 2+ , T 3 and B 2 are CrO 4 2? , and M 1 is H2O) of uranyl complexes. The uranium-containing layered groups are held together by electrostatic interactions with rubidium cations, as well as by hydrogen bonds with the participation of inner- and outer-sphere water molecules. 相似文献
14.
N. L. Sizova V. L. Manomenova E. B. Rudneva A. É. Voloshin 《Crystallography Reports》2007,52(5):884-888
The Vickers hardness of the (010) and (001) planes in (NH4)2Ni(SO4)2 · 6H2O (ANSH) crystals has been measured. Anisotropy hardness of the first kind is revealed for the (010) plane in ANSH. The hardness anisotropy coefficient k 2 was determined to be 1.5. The temperature dependence of the microhardness of the (001) face of ANSH crystals was investigated in the temperature range from 20 to 80°C. The character of fracture of the (100), (010), and (001) planes during indentation with a spherical indenter has been qualitatively determined. 相似文献
15.
Abstract The molecular structure of [Cu2(MeCN)2(μ-tpy)2][BPh4]2 has been determined. The two terpyridine ligands coordinate to the same Cu(I) center in a bidentate configuration, in which
the copper adopted a distorted tetrahedral geometry with the four nitrogen donors. The third ring of each terpyridine ligand
forms a bridge with a second Cu(I) center, whose tetrahedral coordination sphere is completed by two acetonitrile ligands.
The resulting structure represents a section of a double helix. Crystal data: space group C2/c, a = 27.202(5), b = 12.995(3), c = 23.409(5) ?, β = 123.13(3)°; V = 6930(2) ?3, Z = 4, R = 0.0613, wR
2 = 0.0946.
Graphical Abstract The molecular structure of [Cu2(MeCN)2(μ-tpy)2][BPh4]2 has been determined. The terpyridine ligands coordinate in a bidentate fashion to the same Cu center and monodentate to a
second Cu center resulting in a double helical structural motif.
相似文献
16.
A water soluble derivative of daidzein, [Zn(H2O)6] X2 ⋅ 8H2O (X = 4′,7-dimethoxylisoflavone-3′-sulfonate) was synthesized and its structure was determined by single-crystal X-ray diffraction
analysis. Zn(II) is located on an inversion centre and octahedrally coordinated by six water molecules. [Zn(H2O)6]2+, C17H13O4SO3− and H2O form many hydrogen bonds, which consist of the hydrophilic areas of title compound. The isoflavone skeletons arrange in
an antiparallel fashion. They form the hydrophobic areas of title compound and π ⋅s π stacking interactions exist among them. The sulfo-group is an important bridge as a structural link between the hydrophilic
region and the hydrophobic region. The hydrogen bonds, π ⋅ π stacking interactions exist in its crystal structure, which assemble
the moieties into a three-dimensional networking structure. 相似文献
17.
V. L. Manomenova E. B. Rudneva L. F. Malakhova N. G. Furmanova A. É. Voloshin T. N. Smirnova 《Crystallography Reports》2007,52(5):918-922
Large single crystals of rubidium nickel hexahydrate Rb2Ni(SO4)2 · 6H2O (RNSH) of optical quality were grown for the first time. The atomic structure of RNSH crystals was refined. A comparative analysis of the crystal structures of (M 1+)2Ni(SO4)2 · 6H2O, where M 1+ is K, Rb, or Cs, was performed. The solubility curve of RNSH in water was measured. The optical and thermogravimetric properties of RNSH were investigated. The internal defect structure of RNSH crystals was studied by X-ray topography. 相似文献
18.
Abstract
A new 1D coordination polymer [Me4N]3{[Mn(L)][Nb6Cl12(CN)6]}·3MeCN·H2O (1) (L = acacen 2− = N,N′-bis(acetylacetone)-1,2-ethylenediimine) was synthesized from reaction between [Me4N]4[Nb6Cl12(CN)6] and [Mn(L)]Cl in acetonitrile. The crystal structure of 1 was determined from single-crystal X-ray diffraction analysis. Compound 1 crystallizes in the tetragonal system, space group I41/a (No. 88), a = 30.585(4), c = 27.348(6) ?, V = 25582(7) ?3, Z = 16. Its 1D framework consists of chains formed of metal clusters and Mn(L) complexes linked to each other by Nb–C≡N–Mn–N≡C–Nb linkages. The chains extend along the a and b crystallographic axes and are related to each other by 41 screw axis. The chains are held together by [Me4N]+ cations and solvent molecules located in channels running between the chains. 1 and the previously reported 1D coordination polymer [Me4N]3{[Mn(5-MeO-salen)][Nb6Cl12(CN)6]} (3) differ from each other in terms of their synthesis and their structural characteristics. 相似文献19.
Abstract
The low temperature crystal structure of the complex, Cr(urea)4(H2O)2·3NO3 (1), displays intriguing pseudosymmetry that complicates the structure determination. 1 crystallises in the centrosymmetric monoclinic space group P21/c with Z = 8 and Z′ = 2; a = 18.3338(4) ?, b = 16.5472(4) ?, c = 13.9252(3) ? and β = 106.3260(10)°, V = 4054.19(16) ?3. The two symmetry independent [Cr(urea)4(H2O)2]3+ ions in the asymmetric unit both feature coordinated urea (O=C(NH2)2) and lie on general positions. A further six independent nitrate anions complete the structure. The unit cell is primitive but the two Cr3+ ions are related by a pseudo translation of ?, ?, 0. The deviation from a truly C-centred cell is clear from an examination of geometry of the urea ligands and the hydrogen bonds which they form. The identification of the space group in this case is described and methods for quantifying the degree of deviation from a C-centred cell discussed. 相似文献20.
Gregory J. Grant Desirée A. Benefield Rishi D. Naik Bruce C. Noll 《Journal of chemical crystallography》2011,41(6):847-853