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1.
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
2.
D. Yu. Pushcharovskii E. V. Suleimanov M. Pasero S. Merlino A. V. Barinova E. V. Alekseev 《Crystallography Reports》2003,48(2):212-215
The crystal structure of the compound Sr(AsUO6)2 · 8H2O is determined by X-ray diffraction analysis (monoclinic system, sp. gr. Pc, unit-cell parameters a = 7.154(1) Å, b = 7.101(1) Å, c = 18.901(7) Å, β = 92.67(2)°, Z = 2). The structure is built by (001)-parallel [AsUO6]? layers formed by flattened square UO6 bipyramids and AsO4 tetrahedra. The neighboring layers are connected via SrO8 square antiprisms. The cavities of the polyhedral framework thus formed are occupied by H2O molecules. The displacements of the anion complexes by a half-translation with respect to one another along only one lattice period is a characteristic feature of this polymorphous modification of the uran-mica group. 相似文献
3.
Joseph M. Ellsworth Zeeshan M. Khaliq Kathryn L. Seward Mark D. Smith Hans-Conrad zur Loye 《Journal of chemical crystallography》2007,37(11):749-754
Abstract Three new isostructural coordination complexes, M(pca)3, where M = Co (1), Cr (2), or Rh (3) and 2-pyrazine-carboxylate (pca), have been synthesized solvothermally and characterized
by single crystal X-ray diffraction and powder X-ray diffraction. In structures 1-3, the pca ligand chelates to the metal
centers in a tris-chelating arrangement through proximal nitrogen and oxygen donor atoms. Structures 1-3 are monoclinic and
crystallize in the space group C2/C. In structure 1, a = 28.066(13) ?, b = 8.036(4) ?, c = 13.577(6) ?, and β = 90.2(10)°.
In structure 2 a = 28.318(3) ?, b = 8.089(4) ?, c = 13.792(12) ?, and β = 90.256(2)°. In structure 3, a = 28.679(4) ?, b = 8.051(13) ?,
c=13.847(2) ?, and β = 90.585(2)°.
Graphical Abstract Three new isostructural coordination complexes, M(pca)3, where M = Co, Cr, or Rh and 2-pyrazine-carboxylate (pca), have been synthesized solvothermally and characterized by single
crystal X-ray diffraction and powder X-ray diffraction.
相似文献
4.
Ying Liu Bao Zhang Jian-Min Dou Da-Qi Wang Da-Cheng Li Lei Zhou 《Journal of chemical crystallography》2007,37(11):717-720
Abstract One new mononuclear manganese complex of [Mn(4,4′-bip)2(OH2)4](DBA) · 4H2O (1) (4,4′-bipyridine, 4,4′-bip; H2DBA, benzene-1,3-dicarboxylic acid) has been obtained from the hydrothermal reaction of MnCl2 · 4H2O, 4,4′-bipyridine and H2DBA in the solvent of H2O at 140 °C for 3 days, characterized by X-ray analysis, spectroscopic methods, and thermal analysis. Packing diagram shows
that the three-dimensional network was formed via hydrogen bonds and strong π–π interactions.
Graphical abstract
One Novel Three-dimensional Network Constructed from [Mn(4,4′-bip)
2
(OH
2
)
4
]
2+
Cations and DBA
2−
Anions via Hydrogen-bonding and π–π Interactions
Ying Liu, Bao Zhang, Jian-min Dou, Da-qi Wang, Da-cheng Li, Lei Zhou
One new mononuclear manganese complex of [Mn(4,4’-bip)2(OH2)4](DBA) · 4H2O (1) (4,4’-bipyridine, 4,4’-bip; H2DBA, benzene-1, 3-dicarboxylic acid) has been obtained and haracterized by X-ray analysis, spectroscopic methods, and thermal
analysis. Packing diagram shows that the three-dimensional network was formed via hydrogen bonds and strong π-π interactions.
相似文献
5.
Thomas?W.?Vertrees Gwendolyn?Hoben Andrew?N.?Kobylivker Christopher?L.?Edwards Simon?G.?Bott Andrew?R.?Barron
The molecular structure of [(tBu)2Al(-OC6H5-2-Me)]2 has been determined. Both the ortho-tolyl methyl groups are oriented towards Al(2). The intramolecular steric interaction between the ortho-methyl groups and the tert-butyl ligands results in the geometry about the bridging oxygen being significantly distorted while the geometries about the aluminum centers show a distortion from tetrahedral that is less than the sterically less hindered [(tBu)2Al(-OPh)]2. Crystal data: group C2/c, a = 13.733(3) Å, b = 15.135(3) Å, c = 15.420(3) Å, = 104.24(3), V = 3106(1) Å3, Z = 4, R = 0. 0612, wR2 = 0.1787. 相似文献
6.
N. S. Kozlova O. A. Busanov E. V. Zabelina A. P. Kozlova V. M. Kasimova 《Crystallography Reports》2016,61(3):474-478
Crystals of cerium-doped gadolinium–gallium–aluminum garnet have been grown by the Czochralski method. The transmission and reflection spectra of these crystals in the wavelength range of 250–800 nm have been obtained by optical spectroscopy. Refractive indices are calculated based on the measured Brewster angles, the experimental results are approximated using the Cauchy equation, and a dispersion dependence is obtained. 相似文献
7.
Abstract
The six-membered heterocycle [Me2AlSb(t-Bu)2]3 was reacted with the strong Lewis-base 4-dimethylaminopyridine (dmap), yielding the first completely alkyl-substituted monomeric complex dmap–Al(Me2)Sb(t-Bu)2 1. 1 was characterized by NMR spectroscopy and single crystal X-ray diffraction. 1 is monoclinic, space group P2 1 /n with a = 9.9004(2) ?, b = 16.8166(3) ?, c = 13.8400(3) ?, β = 100.746(1)° and Z = 4. 相似文献8.
Yong Zhang Jian Zhou Ai-Bin Tang Guo-Qing Bian Jie Dai 《Journal of chemical crystallography》2010,40(6):496-500
Abstract
Two new thiostannates [M(tepa)]2(μ-Sn2S6) (tepa = tetraethylenepentamine, M = Fe2+ 1 and Co2+ 2) were prepared by solvothermal method. Compounds 1 and 2 are isostructural. Both the compounds crystallize in the tetragonal system, space group I41/a (no. 88) with the crystal parameters of 1: a = 25.683(2) ?, b = 25.683(2) ?, c = 9.9860(9) ?, V = 6,586.7(11) ?3, Z = 8, and 2: a = 25.742(3) ?, b = 25.742(3) ?, c = 9.8977(12) ?, V = 6,558.5(14) ?3, Z = 8. The Sn2S6 4− anion acts as a bidentate bridging ligand connecting two transition metal complex cations by trans terminal S atoms to form neutral centrosymmetric [M(tepa)]2(μ-Sn2S6) moieties. 相似文献9.
O. V. Yakubovich A. R. Kotel’nikov T. I. Shchekina E. N. Gramenitskiy E. S. Zubkov 《Crystallography Reports》2011,56(2):190-197
The crystal structure of new synthetic aluminosilicate |Na7.38(AlF6)0.70(H2O)4.88|[(Si6.74Al5.26)O24]-SOD, which was obtained by hydrothermal synthesis (T = 650° C, P = 2 Kbar) in the Si-Al-Na-F-H2O system, has been found by X-ray diffraction (Xcalibur-S-CCD diffractometer, 2θmax = 64.99°, R = 0.037 for 440 reflections): a = 9.0461(1) Å, sp. gr. P \(\bar 4\)3m, Z = 1, and ρcalcd = 2.370 g/cm3. The disordered Si,Al-tetrahedral framework (the structural basis of the new compound) is topologically identical to the framework of mineral sodalite. Na+ cations, [AlF6]3? anions, and H2O molecules occupy framework voids. The form of fluorine incorporation into the sodalite crystal structure (as octahedral aluminofluoride complexes) has been reliably established for the first time. 相似文献
10.
A. A. Kaminskii A. F. Konstantinova V. P. Orekhova A. V. Butashin R. F. Klevtsova A. A. Pavlyuk 《Crystallography Reports》2001,46(4):665-672
Monoclinic α-KRE(WO4)2 crystals are grown. Their structure is described in two crystallographic settings. The principal refractive indices are determined and the coefficients and characteristic wavelengths are used for calculating refractive indices by the Selmeyer formulas. The data on the anisotropic parametric Raman generation in these crystals under the picosecond pumping are discussed. 相似文献
11.
Shishir Ghosh Shariff E. Kabir Farzana K. Camellia Md. Kamal Hossain Daniel T. Haworth Sergey V. Lindeman Tasneem A. Siddiquee Dennis W. Bennett 《Journal of chemical crystallography》2010,40(8):712-715
Abstract
Treatment of [Mo(CO)3(NCMe)3] with bis(diphenylphosphino)methane (dppm) and triphenylphosphine (PPh3) at 50 °C afforded mer-[Mo(CO)3(PPh3)(κ 2-dppm)] (1) in 55% yield which has been characterized by single crystal X-ray diffraction studies and spectroscopic measurements. Compound 1 crystallizes in the triclinic space group P−1 with a = 10.3449(6), b = 11.1570(6), c = 17.8961(10) ?, β = 80.8400(10)°, Z = 2 and V = 1959.8(2) ?3. 相似文献12.
N. V. Somov F. F. Chausov R. M. Zakirova M. A. Shumilova V. A. Aleksandrov V. G. Petrov 《Crystallography Reports》2017,62(5):734-738
Aquanitrilotris(methylenephosphonato)dirubidium is a 3D coordination polymer with a layer structure. Space group \(P\bar 1\), Z = 2; a = 8.0380(3) Å, b = 9.0522(4) Å, and c = 10.7837(4) Å; α = 113.252(4)°, β = 105.391(3)°, and γ = 96.182(3)°. Rb atoms populate two symmetrically inequivalent positions with c.n. = 8 and 10; significant difference in O–Rb–O angles in the coordination polyhedra is indicative of the ionic type of Rb–O bonds. In the crystal packing, molecules are connected by not only coordination bonds but hydrogen bonds as well. 相似文献
13.
Domenica Marabello Federica Bertolotti Giuliana Gervasio 《Journal of chemical crystallography》2010,40(1):72-75
Abstract
The structure of the complex Os3(μ-H)(CO)9(μ3, η2-C2H) has been determined using X-ray data collected at low temperature (100 K); all hydrogen atoms have been located. The asymmetric unit is formed by two molecules joined through hydrogen bonds involving the hydrogen atoms of C2H moiety and the oxygen atoms of carbonyl groups. The complex crystallizes in the monoclinic space group P21/c with a = 12.94040(2), b = 15.4705(2), c = 16.0164(2) ?, β = 106.0860(10)°, and V = 3,080.85(7) ?3, Z = 8. A molecule is formed by a triangular Os3 cluster, with metal atoms bearing terminal CO groups. The acetylenic residual is formally π-bonded to two Os atoms in a perpendicular mode and σ-linked to the third Os atom. A bridging hydride atom completes the coordination. 相似文献14.
The title compound, 8-bromo-7-isopropoxyisoflavone (bromoipriflavone), C18H15O3Br, crystallizes in tetragonal crystal system, space group I41/a with cell constants a = 21.396(2) Å, c = 13.588(2) Å, V = 6220.2(14) Å3 and Z = 16. Bromoipriflavone is composed of a benzopyranone moiety, a phenyl moiety, an isopropoxy group and a bromine atom. The benzopyranone ring is not coplanar with the phenyl ring with a dihedral angle of 55.1. The molecules are stacked into a C(4) helices down [001] via – stacking and hydrogen bonds, the C(4) helices are assembled into three-dimensional network via strong BrsBr interactions and synthons R42(10) formed by two tri-centered C–HsO hydrogen bonds, resulting in a distinctive high-symmetry supramolecule. The title compound was also characterized by IR and 1H NMR. 相似文献
15.
Treatment of the labile cluster Os3(CO)10(CH3CN)2 with morpholine in benzene at 60°C afforded Os3(CO)10(μ-η2-NC4H6O)(μ-H) (1). Decarbonylation of 1 at 128°C gave Os3(CO)9(μ3-η2-NC4H6O)(μ-H) (2), which reacts with PPh3 at ambient temperature to give an addition product Os3(CO)9(μ-η2-NC4H6O)(PPh3)(μ-H) (3). Compound 1 reacted with PPh3 at 98°C to give the substitution product 4 which is an isomer of 3. The reaction of Ru3(CO)12 with morpholine in the presence of Me3NO in refluxing benzene at 80°C afforded Ru3(CO)9(μ3-η2-NC4H6O)(μ-H) (5). Compounds 1– 5 have been characterized by elemental analysis, infrared, 1H NMR, and mass spectroscopic data. The molecular structure of 1 has been determined by single crystal X-ray diffraction analysis. Compound 1 crystallizes in the monoclinic space group P2/c with a = 29.598(8) Å, b = 9.202(2) Å, c = 14.496(4) Å, β = 93.19(3)°, Z = 8, and V = 3942(2) Å3. Compound 1 consists of an isosceles triangle of osmium atoms with one elongated Os–Os edge, which is bridged by the hydride and the morpholine ligand. 相似文献
16.
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17.
The crystal structure of nitrilotris(methylenephosphonato)potassium K[μ6-NH(CH2PO3)3H4]—a three-dimensional coordination polymer—was determined. The potassium atom is coordinated by seven oxygen atoms belonging to the six nearest ligand molecules, resulting in distorted monocapped octahedral coordination geometry. The complex contains the four-membered chelate ring K–O–P–O. The K–O chemical bond is predominantly ionic. Meanwhile, the bonds of the potassium atom with some oxygen atoms have a noticeable covalent component. In addition to coordination bonds, the molecules in the crystal packing are linked by hydrogen bonds. 相似文献
18.
The crystal structure of mineral bussenite, Na2Ba2Fe[TiSi2O7][CO3]O(OH)(H2O)F, found in the Khibiny massif (the Kola Peninsula) has been determined. The parameters of the triclinic unit-cell are a = 5.399(3) Å, b = 7.016(9) Å, c = 16.254(14) Å, α = 102.44(8)°, β = 93.18(6)°, γ = 90.10(7)°, sp. gr. \(P\bar 1\), R = 0.054 for 1418 reflections with |F| > 2.5σ(F). The mineral studied belongs to the family of layered titanosilicates, in which, unlike the sulfate-and phosphate-containing representatives of this family, the interlayer spaces are filled with carbonate groups. 相似文献
19.
Isabella L. Karle Raymond J. Butcher Y. B. R. D. Rajesh Subramania Ranganathan 《Journal of chemical crystallography》2009,39(5):309-314
Abstract The structure of the benznenehexacarboxylic acid (mellitic acid, MA)––phenanthroline (PL) complex (MA−2 2PL+1) consisting of infinite stacks of phenanthroline separated for optimum π–π interactions and sandwiched between MA ribbons
suggested a design of models with more significant π–π interactions to produce conducting materials. Phenazine (9,10-diazaanthracene)
was considered as a promising choice. The X-ray structure of the complex (MA1–PZ4) from MA−2 and neutral PZ was a major surprise since the complex was not only radically different from MA–PL but also the MA exhibited
the rare direct interaction with the base PZ. In a novel arrangement, a continuous chain formed by the linking of the peri
carboxylic groups of MA−2 mediated with hydronium ions, H3O+, supports a 4-fold arrangement of four phenazine molecules where four carboxylic groups are engaged in hydrogen bond formation
with one of the nitrogens of each PZ. The running chain of MA−2 supports the formation of stacks of phenazine molecules which are separated by ~3.39–3.60 ?, well suited for π–π overlap.
The proximal placement of such threaded modules enables their transformation to layered stacks thus possibly enhancing their
π–π interactions. Crystal structure parameters are: sp. gr. C2/c, a = 13.2819(23) ?, b = 11.3669(20) ?, c = 33.3757(57) ?, β = 96.515(3), R
1 = 0.0521 for 4,198 data (I > 2σ(I)) and wR
2 = 0.0828 for all 6,194 data.
Graphical Abstract Dark brown thick crystals from MA and phenazine form the sandwiched module (PZ2–MA−2–PZ2) that assembles vertically to produce infinite π–π stacks of PZ.
Isabella L. Karle (Senior Scientist) is responsible for the structure analysis and discussion.
Subramania Ranganathan (Professor) is responsible for design of molecule and synthesis. 相似文献
20.
A specimen of a new representative of the palygorskite-sepiolite family from Aris phonolite (Namibia) is studied by single-crystal X-ray diffraction. The parameters of the triclinic (pseudomonoclinic) unit cell are as follows: a = 5.2527(2) Å, b = 17.901(1) Å, c = 13.727(1) Å, α = 90.018(3)°, β = 97.278(4)°, and γ = 89.952(3)°. The structure is solved by the direct methods in space group P \(\bar 1\) and refined to R = 5.5% for 4168 |F| > 7σ(F) with consideration for twinning by the plane perpendicular to y (the ratio of the twin components is 0.52: 0.48). The crystal chemical formula (Z = 1) is (Na1.6K0.2Ca0.2)[Ca2(Fe 3.6 2+ Al1.6Mn0.8)(OH)9(H2O)2][(Fe 3.9 2+ Ti0.1)(OH)5(H2O)2][Si16O38(OH)2] · 6H2O, where the compositions of two ribbons of octahedra and a layer of Si tetrahedra are enclosed in brackets. A number of specific chemical, symmetrical, and structural features distinguish this mineral from other minerals of this family, in particular, from tuperssuatsiaite and kalifersite, which are iron-containing representatives with close unit cell parameters. 相似文献