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1.
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
2.
Daniel L. Reger Kenneth J. Brown James R. Gardinier Mark D. Smith 《Journal of chemical crystallography》2005,35(3):217-225
The structure of Fe[C5H4CH2OCH2C(pz)3]2 (pz = pyrazolyl ring) contains 1.5 independent molecules in the asymmetric unit. One molecule has no imposed symmetry with the iron atom located on a general position while in the other the iron atom is located on an inversion center. The two independent molecules are arranged into a three-dimensional supramolecular structure by a series of C—H s N and C—H s O weak hydrogen bonding interactions and C—H s interactions. The crystals are triclinic, space group, P
, with a = 8.1202(4) Å, b = 16.7209(9) Å, c = 18.6540(10) Å = 85.8270(10), = 85.4740(10), = 81.5910(10), and Z = 3 相似文献
3.
《Journal of chemical crystallography》1991,27(7):391-395
[Cd(C5H4O4)(OH2)2] (1), crystallizes in the monoclinic system, space groupP21/n, with lattice parametersa=7.323(2),b=16.028(6),c=7.202(2) Å, β=113.11(1)°, andZ=4. The Cd atom coordinates to seven oxygens in a monocapped trigonal antiprism fashion. The antiprisms share one vertex to
form chains which run approximately parallel to thec axis. The itaconate ligands link the chains to form layers which stack along theb axis. 相似文献
4.
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
5.
The tetraazamacrocyclic copper(II) complex, [Cu(L)](ClO4)2 (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14.4.01.18.07.12]docosane), hydrolyzes DMF at room temperature. The formate anion which is one of the hydrolyzed species of DMF coordinates
to the copper(II) ion to form [Cu(L1)(O2CH)](ClO4) · H2O (1). The crystals of the complex 1 were isolated and structurally characterized by a combination of analytical, spectroscopic, and crystallographic methods.
In 1, the macrocyclic ligand contains two trans fused cyclohexane rings, and the coordination geometry about the copper(II) ion
adopts a square pyramid with four equatorial nitrogen atoms from the macrocycle and an oxygen atom from the formato ligand
with an uncoordinated perchlorate ion. 相似文献
6.
Raj Pal Sharma Rajni Sharma Ritu Bala Juan M. Salas Miguel Quiros 《Journal of chemical crystallography》2005,35(10):769-775
Dark red crystals of bis[trans-dinitrobis(ethylenediamine)cobalt(III)] dichromate, [trans-Co(en)2(NO2)2]2(Cr2O7) have been obtained by slowly allowing to mix the solutions of potassium dichromate and trans-dinitrobis(ethylenediamine)cobalt(III)
nitrate in 1:2 molar ratio in aqueous medium. Elemental analyses and spectroscopic techniques (IR, UV/visible, 1H and 13C NMR) were used for characterizing the complex salt. The complex salt crystallizes in the orthorhombic space group Fdd2 with
unit cell dimensions a = 24.778(2) ?, b = 30.457(2) ?, c = 6.5364(5) ?, Z = 8, V = 4932.8(7) ?3, R1 = 0.0617 and wR2 = 0.1518. X-ray structure determination revealed an ionic structure consisting of cationic cobaltammine [trans-Co(en)2(NO2)2]NO3 and dichromate anion. It is the first crystal structure of this cation with a dianion. 相似文献
7.
Abstract
A cadmium(II) coordination polymer [Cd2(2-mBIM)2Cl2(C4H4O4)(H2O)2(H2O)] n (1) (wherein 2-mBIM = bis(2-methylimidazo-1-yl) methane, C4H4O4 = succinate anion) has been synthesized and characterized by X-ray diffraction. Complex 1 crystallizes in the monoclinic space group C2/c with a = 23.5265(15) ?, b = 7.3558(5) ?, c = 17.4771(11) ?, β = 90.3560(10)°, V = 3024.5(3) ?3, Z = 4. Each Cd(II) atom is octahedrally coordinated and connected with two adjacent Cd(II) atoms by two individual 2-mBIM ligands in a trans-configuration to form one-dimensional (1D) helical structure. Such 1D helical chain structures were connected to each other via the succinate anion ligands and result in the formation of a two-dimensional (2D) framework. Meanwhile, an overall three-dimensional (3D) supramolecular network was formed via the weak hydrogen bond interactions between metal-coordination and free water molecules. 相似文献8.
Daniel L. Reger Mark D. Smith Kenneth J. Brown 《Journal of chemical crystallography》2009,39(8):545-548
Abstract The cation in the solid state structure of [Fe{HC(3,5-Me2pz)3}2][Fe2OCl6] (pz = pyrazolyl ring) contains an octahedral iron(II) center with an average Fe–N bond distance of 2.17 Å, indicating that
the iron(II) is in the high-spin form. While M–N bond distances of this length with κ3-[HC(3,5-Me2pz)3] ligands generally cause tilting of pz to open up the “bite” angle, in this structure the average tilting angle is only 3.1°,
a much lower value than observed in earlier structures of this same cation paired with different anions. The crystals are
monoclinic, space group P21/n, with a = 11.1671(12) Å, b = 10.8091(11) Å, c = 17.4385(17) Å, α = γ = 90°, β = 95.685(2)°, and Z = 2.
Graphical Abstract The cation in the solid state structure of [Fe{HC(3,5-Me2pz)3}2][Fe2OCl6] (pz = pyrazolyl ring) contains an octahedral iron(II) center in the high-spin form with unusual orientations of the pyrazolyl
rings.
相似文献
9.
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
10.
L. G. Kuzmina A. V. Churakov K. I. Grandberg J. A. K. Howard 《Journal of chemical crystallography》2005,35(8):635-640
The structure of the auration product of N-(5-methoxybenzene)-2,4,6-trinitroaniline is determined. The compound of composition C67H54Au3N4O8P3 (3) crystallizes in triclinic space group P
with a = 13.8280(4), b = 14.7641(4), c = 17.4531(5) Å, α = 111.550(1), β = 102.779(1), γ = 103.040(1)∘, Z = 2. The compound represents a salt tris(triphenylphosphinegold) oxonium N-(4-methoxyphenyl)-2,4,6-trinitroanilinate, with a hexanuclear dimeric structure of the cation and a para-quinoid form of the anion that is responsible for the dark-red color of the compound. 相似文献
11.
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
12.
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
13.
M. S. Grigoriev I. B. Shirokova A. M. Fedoseev C. Den Auwer 《Crystallography Reports》2002,47(6):970-972
The crystal structure of the [La(DMSO)6(H2O)PW12O40] · C2H5OH complex (I) (where DMSO is dimethyl sulfoxide) is determined by X-ray diffraction analysis. The coordination polyhedron of the La atom is a distorted
tricapped trigonal prism in which two cap sites are occupied by oxygen atoms of the heteropolyanions. For these atoms, the
La-O distances [2.760(9) and 2.801(9) Å] are considerably longer than the other distances [ranging from 2.441(10) to 2.569(10)
Å] in the environment of the La atom.
__________
Translated from Kristallografiya, Vol. 47, No. 6, 2002, pp. 1039–1041.
Original Russian Text Copyright ? 2002 by Grigoriev, Shirokova, Fedoseev, Den Auwer. 相似文献
14.
Shih-Huang Huang Xiaoping Wang Michael G. Richmond 《Journal of chemical crystallography》2009,39(6):428-432
Abstract The reaction between the tantalum compound TaCl3[N(TMS)2]2 and the hydridic reducing agent sodium bis(2-methoxyethoxy)aluminum hydride (Vitride) has been investigated in toluene solution
at room temperature and found to afford the dimeric aluminate complex [NaAl{N(TMS)2}(OCH2CH2OMe)3]2 as the sole isolable product. The molecular structure of the product establishes the existence of a four-coordinate aluminum
atom and the formal transfer of the 2-methoxyethoxy and bis(trimethylsilyl)amide groups to the aluminate product. The aggregation
of two NaAl{N(TMS)2}(OCH2CH2OMe)3 units serves to bind the two sodium cations in a crown-ether fashion through six ancillary oxygen atoms.
Index Abstract The reaction between TaCl3[N(TMS)2]2 and the reducing agent Vitride has been examined and found to furnish the dimeric aluminate complex [NaAl{N(TMS)2}(OCH2CH2OMe)3]2 in low yields. X-ray diffraction analysis confirms the attendant transfer of the 2-methoxyethoxy and bis(trimethylsilyl)amide
groups to the aluminate product, which exists as a dimer that encapsulates two sodium counter ions via the 2-methoxyethoxy
appendages.
相似文献
Michael G. Richmond (Corresponding author)Email: |
15.
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16.
Hong-Kun Zhao Xiu-Guang Wang En-Cui Yang Xiao-Jun Zhao 《Journal of chemical crystallography》2008,38(8):625-629
Abstract The cobalt(II) complex, [Co(abz)2(SCN)2] 1, has been synthesized by the reaction of cobalt(II) nitrate with ammonium thiocyanate and abz ligands (abz = 2-aminobenzimidazole),
and was fully structurally characterized by elemental analysis, IR spectra, X-ray diffraction and thermogravimetric experiments.
It crystallizes in the triclinic P-1 space group with a = 8.6316(10), b = 9.3426(10), c = 13.254(2) ?, α = 95.793(2), β = 95.870(2), γ = 115.7380(10), V = 945.1(2) ?3, and Z = 2. The central cobalt(II) atom is four-coordinated to nitrogen donors from two neutral abz ligands and two isothiocyanate
anions respectively, adopting a slightly distorted tetrahedral geometry. In addition, the intermolecular N–H···N and N–H···S
hydrogen bonds interactions link the discrete mononuclear units into infinite three-dimensional networks.
Index Abstract The essence sentence of the paper: In the mixed-ligand mononuclear complex, [Co(abz)2(SCN)2], the four coordinated cobalt(II) atom exhibits a slightly distort tetrahedron, which is further assembled into 3D infinite
network by intermolecular hydrogen interactions.
相似文献
17.
Sabri Cevik Mehmet Poyraz Musa Sar Orhan Büyükgüng?r 《Journal of chemical crystallography》2007,37(7):497-502
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 [VIV
2O2(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 [VIV
2O2(H2O)2(C6H2(COO)4)]. 相似文献
18.
Abstract The self-assembly and structural characterization of the new manganese(II) [MnL
2](ClO4)2(CH3OH)0.5 (1) complex has been achieved. The crystallographic data for the complex 1: Orthorhombic Pbca
,
a = 16.287(2) ?, b = 21.293(2)?, c = 32.718(3) ?, V = 11,347(2) ?3, Z = 8. The two polydentate ligands strand intertwined each other and around the manganese(II) ions forming a mononuclear complex.
The Mn(II) ion is eight-coordinated with the eight donor nitrogen atoms of two ligands to form a distorted square antiprismatic
coordination geometry. The magnetic properties investigation indicates that there is a weak antiferromagnetic exchange coupling
between the Mn(II) ions of the complex.
Index Abstract An octa-coordinated Mn(II) complex which exhibits a distorted square antiprismatic coordination geometry has been achieved
by using a bisbidentate Schiff-base
ligand.
相似文献
19.
4-Methyl-2-phenylbenzo[de]cyclobut[i]isoquinoline-3,5(2H)-dione, C21H15NO2, resulted from the photochemical reaction of N-methyl-1,8-naphthalenedicarboximide with phenylacetylene, has been characterized by 1H NMR, IR, and MS spectra and established by single-crystal X-ray crystallography. The crystal structure belongs to the monoclinic space group P21/n with cell parameters a = 12.530(2) Å, b = 9.324(2) Å, c = 13.296(2) Å, = 96.85(1), V = 1542.3(4) Å3, and Z = 4. 相似文献
20.
Orthorhombic Fe5(PO4)4(OH)3·2H2O single crystalline dendritic nanostructures have been synthesized by a facile and reproducible hydrothermal method without the aid of any surfactants. The influences of synthetic parameters, such as reaction time, temperature, the amount of H2O2 solution, pH values, and types of iron precursors, on the crystal structures and morphologies of the resulting products have been investigated. The formation process of Fe5(PO4)4(OH)3·2H2O dendritic nanostructures is time dependent: amorphous FePO4·nH2O nanoparticles are formed firstly, and then Fe5(PO4)4(OH)3·2H2O dendrites are assembled via a crystallization-orientation attachment process, accompanying a color change from yellow to green. The shapes and sizes of Fe5(PO4)4(OH)3·2H2O products can be controlled by adjusting the amount of H2O2 solution, pH values, and types of iron precursors in the reaction system. 相似文献