共查询到20条相似文献,搜索用时 15 毫秒
1.
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2.
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3.
Abstract A new ion-pair complex, bis(1-benzyltriphenylphosphinium) bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II), [BzTPP]2[Ni(tdas)2](1), has been prepared and characterized by elemental analyses, UV, IR, MS spectrum, molar conductivity and single crystal X-ray
diffraction. The title complex crystallizes in the triclinic space group P-1, a = 9.098(1) Å, b = 9.666(1) Å, c = 29.573(3) Å, α = 83.81(1)°, β = 81.97(1)°, γ = 78.83(1)°, V = 2,517.5(4) Å3, Z = 2. The unit cell contains two [BzTPP]+ and two halves of [Ni(tdas)2]2− anions in which the anion exhibits a quasi-planar structure. The [BzTPP]+ cation adopts a conformation where four phenyl rings are twisted to the C–C–P reference plane. The weak cation–cation C–H···π,
π···π interactions and anion–cation C–H···N hydrogen bonds between the anion and cation play an important role in the stacking
and stabilizing of the title complex.
Graphical Abstract The title new ion-pair complex, bis(1-benzyltriphenylphosphinium) bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II), [BzTPP]2[Ni(tdas)2](1), contains two [BzTPP]+ and two halves of [Ni(tdas)2]2− anions in which the weak cation–cation C–H···π, π···π interactions and anion−cation C–H···N hydrogen bonds between the anion
and cation play an important role in the stacking and stabilizing of the title complex.
相似文献
4.
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
5.
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
6.
Jing-jing Liang Jing Zhao Qin-yan Jin Ding-xian Jia Yong Zhang Jian-sheng Gu 《Journal of chemical crystallography》2010,40(11):975-980
Abstract
Two rare earth metal thioantimonates [RE(en)4]SbS4·0.5en (RE = Y(1), Tm(2); en = ethylenediamine) were synthesized under mild solvothermal conditions. Compounds 1 and 2 are isostructural, and both crystallize in monoclinic space group P21/n. Crystallographic data for 1: a = 11.0894(19), b = 12.905(2), c = 16.000(3) ?, β = 91.792(4), V = 2288.7(7) ?3, Z = 4. For 2: a = 11.0870(14), b = 12.8977(16), c = 15.986(2) ?, β = 91.879(3), V = 2284.7(5) ?3, Z = 4. The four-en coordinated rare earth complex cation [RE(en)4]3+ formed in situ balances the charge of the [SbS4]3− anion in the crystal structure. The RE3+ ion is in an eight-coordinated environment involving eight N atoms of four en ligands forming a bicapped trigonal prism. Hydrogen bonds link [RE(en)4]3+, [SbS4]3− and en species into a three-dimensional structure. The structure determination of 1 and 2 implies that the ionic radii of rare earth metal ions play an important role on the structures of the rare earth metal thioantimonates. 相似文献7.
Ning Zhang Xiucun Liu Yunyin Niu Hongwei Hou Hongyun Zhang Qingli Wang Xiaopeng Zhao Xiaorui Lü 《Journal of chemical crystallography》2009,39(1):46-50
Abstract The solution-phase reaction of HgCl2 with benzyldiphenylphosphine (PPh2Bz) yields a new triaryl phosphine complex [HgCl2(PPh2Bz)2] (1) with the bigger P–Hg–P angle, the longer Hg–Cl bond, and the shorter Hg–P bond. Comparison of the sensitive bond parameters
with similar compounds and the theoretical calculation show that the σ-donating abilities of tertiaryl phosphine ligands toward
HgCl2 conforms to the following order: PEt3 > PPh2Bz > P(2-thienyl)3 > dppf > PPh3.
Graphical Abstract The solution-phase reaction of HgCl2 with benzyldiphenylphosphine (PPh2Bz) yields a new triaryl phosphine complex [HgCl2(PPh2Bz)2] (1) with the bigger P–Hg–P angle. Comparison of the sensitive bond parameters with similar compounds shows that the σ-donating
abilities of tertiaryl phosphine ligands toward HgCl2 conforms to the following order: PEt3 > PPh2Bz > P(2-thienyl)3 > dppf > PPh3. 相似文献
8.
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9.
Abstract
A new mixed crystal K1−x(NH4)xH2PO4 (KADP) of ammonium dihydrogen phosphate (ADP) of ADP–KCl system has been synthesized with x = 0.5 by slow evaporation of the mixture of equimolar aqueous solution at room temperature. Crystal composition determined by single crystal X-ray diffraction analysis reveals that it belongs to the tetragonal system with noncentrosymmetric space group I-42d and it is structurally similar to ADP crystals with the following parameters: a = 7.418(3) ?; c = 7.2284(6) ?; v = 404.63(4) ?3; z = 4. The substitution results in defect centers which influence the physical properties. Mixed crystal has a superior NLO activity, twice that of KH2PO4 (KDP), a well known NLO material and the enhanced NLO activity is rationalized. The structural analysis of KADP and the influence of partial cationic substitution in ADP by K+ ions on the NLO properties are reported. 相似文献10.
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11.
A new diphosphopentamolybdate(VI) K5[HP2Mo5O23] · 10H2O has been prepared employing solution method and characterized by single crystal X-ray diffraction, energy dispersive analysis, infrared spectroscopy, thermal stability analysis, cyclic voltammetry analysis, and ultraviolet visible spectroscopy. The compound crystallizes in the orthorhombic sp. gr. Pcab: a = 15.9661(10) Å, b = 19.0832(10) Å, c = 20.0970(9) Å, V = 6123.27(10) Å3, Z = 8. The crystal structure contains the polyanion units [HP2Mo5O23]5– around the potassium cations and lattice water. The [HP2Mo5O23]5– subunits are connected together through K?O?Mo bridges and hydrogen bonds. The crystal shape morphology was simulated using the Bravais–Friedel–Donnay–Harker model. 相似文献
12.
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13.
Mustafa Tombul Kutalmis Guven Tahsin N. Durlu 《Journal of chemical crystallography》2009,39(6):445-448
Abstract A dimeric sodium supported borate complex, [Na(py)][B(hyncaH−2)2]2
(1) (py = pyridine, hynca = 1-hydroxynaphthalene-2-carboxylic acid), has been synthesised by the reaction of NaBH4 with two equivalents of hynca in anhydrous THF and following crystallization from py/H2O solution afforded borate ester derivative. The complex has been fully characterized by FT-IR in the solid state and by NMR
(1H and 13C) spectroscopy and electrospray ionization mass spectrometry in solution. The molecular structure of the title compound was
determined by single crystal X-ray diffraction. Structure analysis of complex 1 confirmed the presence of an anionic complex [B(hyncaH−2)2]− in which boron atom is coordinated simultaneously by two hynca ligands utilising both alkoxide and carboxylate groups for
bonding. The Na atom is six- coordinate to five O atoms of hydroxy carboxylic acid and one pyridine N atom. Crystal data:
crystal system, monoclinic, a = 10.971(3) Å, b = 6.839(3) Å, c = 30.545(5) Å, β = 92.20(2)°, space group P21/c (#14), V = 2,290(1) Å3, Z = 4.
Index Abstract There are limited examples of alkali metal supported borate ester complexes.
相似文献
14.
Gregory J. Grant Desirée A. Benefield Rishi D. Naik Bruce C. Noll 《Journal of chemical crystallography》2011,41(6):847-853
Abstract
We wish to report the crystal structure for a solid-state solution, {[Pt(9S3)Cl2]2[Pt(9S3)2]}Cl2·4H2O (1), which contains two different complexes of Pt(II) with the trithiacrown 9S3 (1,4,7-trithiacyclononane). One complex [Pt(9S3)Cl2] is neutral and contains a Pt(II) center with a single 9S3 ligand and two coordinated chloro ligands. The second Pt(II) complex is a dication and contains two coordinated 9S3 ligands and two non-coordinating chloride anions. There are two crystallographically equivalent [Pt(9S3)Cl2] complexes present for every single [Pt(9S3)2]2+ cation. Four water solvent molecules are also present. In the neutral complex ([Pt(9S3)Cl2], the Pt(II) center is surrounded by a cis-[S2Cl2 + S1] ligand environment formed by the two chloro ligands and two of the three sulfur atoms from the 9S3 ligand. These two sulfurs are positioned 2.225(2) and 2.242(2) ? from the Pt(II), but the third sulfur shows a long distance interaction at 3.311(2) ? to form an elongated square pyramidal structure. This axial Pt–S distance is the longest observed in 57 crystal structures of Pt(II) 9S3 complexes. The cation [Pt(9S3)2]2+ displays two centrosymmetrically coordinated 9S3 ligands forming a [S4 + S2] environment with an elongated octahedral shape. In the dication, the two equatorial Pt–S distances are 2.297(2) and 2.306(2) ? with the axial sulfur at 3.065(2) ?. The most interesting intermolecular aspects of the structure are hydrogen bonding interactions between two of the water molecules and two chloride counter-ions, resulting in a nearly square O2Cl2 ring. This ring shares an edge with a six-membered ring formed by four waters and two chlorides which are hydrogen bonded. The hydrogen bonding interactions, which result from the presence of water in the crystal, appear to be an important component in stabilizing the lattice for the unusual solid-state solution structure. Crystal Data for (1): P2 1 /n, a = 7.8327(10) ?, b = 25.152(4) ?, c = 12.382(2) ?, V = 2314.3(6) ?3, Z = 2. We also report an improved synthetic procedure for the preparation of two thiacrown complexes [Pt(9S3)Cl2] and [Pt(10S3)Cl2], which are commonly used as precursors for other heteroleptic thioether complexes. The new syntheses proceed at room temperature without the need for long reflux times and produce large crystals which are easily isolable without filtration. The simplicity of these new preparations results in improved yields over previously employed methods. 相似文献15.
Lenka Findoráková Katarína Győryová Marian Koman Jan Moncol Milan Melník 《Journal of chemical crystallography》2010,40(2):145-150
Abstract
The crystal structure of [Zn2(benzoato)4(caffeine)2]·(caffeine)2 was determined by direct method and Fourier technique. The structure was refined by full-matrix least-squares method to a weighted R factor of 0.0582. The structure consists of centrosymmetric dimeric units where the two zinc(II) atoms are coordinated by four bridging benzoates in a syn–syn arrangement and two caffeine ligands at the apices of a bicapped square prism. Remaining two caffeines are bound only by hydrogen bonds. The Zn–Zn distance is 2.961(1) ?. The Zn(II) atoms are displaced by 0.365 ? from the basal plane containing four oxygen atoms towards the apical caffeine molecules. The dimeric structure of the complex is consistent with spectrum and thermal data. The structural data are compared with those found in similar [Zn2(RCOO)4(NL)2] complexes. 相似文献16.
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
17.
Abstract
The novel supramolecular networks based on Keggin-type polyoxoanion, formulated (Hpy)3[PMo12O40]·2(py) has been synthesized hydrothermally and determined by X-ray diffraction. The compound crystallize in Monoclinic, system with space groups and cell parameters, P2 1 /n, a = 10.9370(2) ?, b = 19.586(3) ?, c = 12.5500(2) ?, β = 98.618(2)°, V = 2657.8(6) ?3. Organic fragments and Keggin anions are connected via N–H···N, N–H···O contacts to form interesting 1D zigzag chain. The molecule is stabilized in solid state by electrostatic forces and intermolecular hydrogen-bonding interactions to give the confirmation of guest [PMo12O40]3− inserting in organic host. 相似文献18.
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
19.
L. B. Serezhkina A. V. Vologzhanina A. V. Marukhnov D. V. Pushkin V. N. Serezhkin 《Crystallography Reports》2009,54(5):852-857
Single crystals of the compound Na3(H3O)[UO2(SeO3)2]2 · H2O (I) have been synthesized, and their structure has been investigated using X-ray diffraction. Compound I crystallizes in the triclinic system with the unit cell parameters a = 9.543(6)Å, b = 9.602(7)Å, c = 11.742(8)Å, α = 66.693(16)°, β = 84.10(2)°, γ = 63.686(14)°, space group P \(\bar 1\), Z = 2, and R = 0.0734. The uranium-containing structural units of the crystals are [UO2(SeO3)2]2? chains, which belong to the crystal-chemical group AB 2 B 11 (A = UO 2 2+ , B 2 = SeO 3 2? , B 11 = SeO 3 2? ) of the uranyl complexes. The structures of the compounds containing the [UO2(SeO3)2]2? anionic complexes are compared. 相似文献
20.
Diego Martínez-Otero José G. Alvarado-Rodríguez Noemí Andrade-López 《Journal of chemical crystallography》2010,40(6):531-535