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1.
D. G. Sannikov 《Crystallography Reports》2013,58(6):862-866
A theoretical phase diagram of [N(CD3)4]2ZnCl4 crystal is constructed in the plane of two thermodynamic-potential coefficients. The orientation of the temperature (T) and pressure (P) axes is chosen in the diagram. The first diagram is used as a basis to construct the second theoretical T-P phase diagram, expanded to the region of weak negative pressures for nondeuterated [N(CH3)4]2ZnCl4 crystal. It is suggested that this region can be observed for deuterated [N(CD3)4]2ZnCl4 crystal. 相似文献
2.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets M. O. Karasev 《Crystallography Reports》2010,55(1):19-23
Single crystals of the compound (NH4)3[UO2(CH3COO)3]2[UO2(CH3COO)(NCS)2(H2O)] (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 = 18.3414(6) ?, b = 16.3858(7) ?, c = 12.4183(5) ?, β = 92.992(1)°, space group C2/c, Z = 4, V = 3727.1(3) ?3, and R = 0.0253. The uranium-containing structural units of crystals I are mononuclear complexes of two types with an island structure, i.e., the [UO2(CH3COO)3]− anionic complexes belonging to the crystal-chemical group (AB
301 = UO22+, B
01 = CH3COO−) of the uranyl complexes and the [UO2(CH3COO)(NCS)2(H2O)]− anionic complexes belonging to the crystal-chemical group AB
01M31 (A = UO22+, B
01 = CH3COO−, M
1 = NCS− or H2O). 相似文献
3.
L. B. Serezhkina A. V. Vologzhanina V. V. Klepov V. N. Serezhkin 《Crystallography Reports》2011,56(1):132-135
Single crystals of PbUO2(CH3COO)4(H2O)3 have been investigated by X-ray diffraction (R = 0.029 for 3175 reflections). The structure of this compound is formed by [Pb(CH3COO)(H2O)3]+ chains, which are oriented along the [100] axis and limited by one-core complexes [UO2(CH3COO)3]−. The coordination numbers of the Pb(II) and U(VI) atoms are 8, and the coordination polyhedron of uranium is a hexagonal bipyramid whose vertices contain oxygen atoms of
three bidentate cyclic acetate groups and the uranyl group. Taking into account the different crystallographic roles of acetate
ions, the crystal-chemical formula of [PbUO2(CH3COO)4(H2O)3] chains can be written as AA′B
21
B
11(B
01)2
M
31, where A = Pb; A′ = UO22+; M
1 = H2O; and B
21, B
11, and B
01 are CH3COO− groups. 相似文献
4.
L. B. Serezhkina A. V. Vologzhanina V. V. Klepov V. N. Serezhkin 《Crystallography Reports》2011,56(2):265-269
Uranyl triacetate complexes (Cs0.5Ba0.25)[UO2(CH3COO)3] (I) and Ba0.5[UO2(CH3COO)3] (II) are synthesized for the first time and their structures are determined by X-ray diffraction. Both compounds crystallize
in the cubic crystal system. The crystal data are as follows: a = 17.3289(7) ?, V = 5203.7(4) ?3, space group I213 and Z = 16 (I); a = 17.0515(8)?, V = 4957.8(4) ?3, space group I
$
\bar 4
$
\bar 4
3d, and Z = 16 (II). In I and II, as in all uranyl triacetates studied earlier, the coordination polyhedron of the uranium atom is a hexagonal bipyramid whose
vertices are occupied by the oxygen atoms of the uranyl and three acetate groups. The uranium-containing group belongs to
the AB
301 (A = UO22+, B
01 = CH3COO−) crystal chemical group of uranyl complexes. It was found that compound II is isostructural to the (Rb0.50Ba0.25)[UO2(CH3COO)3] studied earlier. 相似文献
5.
L. B. Serezhkina A. V. Vologzhanina V. V. Klepov V. N. Serezhkin 《Crystallography Reports》2010,55(5):773-779
The single crystal structure of NH4[UO2(CH3COO)3] (I), K[UO2(CH3COO)3] (II), and Cs[UO2(CH3COO)3] (III) is studied by X-ray diffraction. I and II crystallize in the tetragonal crystal system. The crystal data are as follows: a = 13.6985(3) and c = 27.5678(14) ?, V = 5173.1(3) ?3, space group I41/a, Z = 16, and R = 0.023 for I; a = 13.8890(5) and c = 26.0839(18) ?, V = 5031.7(4) ?3, space group I41/a, Z = 16, and R = 0.037 for II. Crystals III are orthorhombic, a = 18.176(2), b = 13.119(2), and c = 22.088(4) ?, V = 5267(1)?3, space group Pbca, Z = 16, and R = 0.0424. In structures I–III, the uranium-containing structural units are represented by discrete mononuclear [UO2(CH3COO)3]− groups, which belong to the AB
301 (A = UO22+, B
01=CH3COO−) crystal chemical group of uranyl complexes. 相似文献
6.
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: |
7.
A. S. Antsyshkina G. G. Sadikov A. L. Poznyak V. S. Sergienko 《Crystallography Reports》2005,50(3):406-409
A complex of copper(II) with the diethylenetriaminemonopripionate ligand [Cu2(4-Dtmp)2](ClO4)2 (I) is synthesized and characterized using X-ray diffraction. The crystals of compound I are monoclinic, a = 7.740(2) Å, b = 19.199(3) Å, c = 8.449(2) Å, β = 91.61(2)°, Z = 2, and space group P21/n. The structural units of crystal I are centrosymmetric dimeric cations and statistically disordered ClO
4
−
anions. In the cation, the copper atom is coordinated by three N atoms [mean Cu-N, 2.01(1) Å] and two O atoms [Cu-O, 2.134(6)
Å and 1.958(7) Å] of the pentadentate bridging-chelate Dtmp ligand, which occupy vertices of the trigonal bipyramid. The binuclear cations are linked via centrosymmetric pairs of hydrogen
bonds into ribbons aligned parallel to the a axis of the crystal. The ClO
4
−
anions form columns in the same direction. In the crystal, the cationic ribbons and anionic columns alternate in a chessboard
fashion.
__________
Translated from Kristallografiya, Vol. 50, No. 3, 2005, pp. 450–454.
Original Russian Text Copyright ? 2005 by Antsyshkina, Sadikov, Poznyak, Sergienko. 相似文献
8.
L. F. Kirpichnikova A. Pietraszko W. Bednarski S. Waplak A. U. Sheleg 《Crystallography Reports》2004,49(1):86-93
Crystals grown from a solution of dimethylammonium and copper chlorides are studied using electron paramagnetic resonance
(EPR) and X-ray diffraction. The dielectric properties of the crystals grown are measured. It is established that the crystals
have the composition [(CH3)2NH2]2CuCl4[(CH3)2NH2]Cl and, in phase I at room temperature, are described by the orthorhombic space group Pna21 with the unit cell parameters a = 11.338 Å, b = 9.981 Å, and c = 15.675 Å. At temperatures of 279 K and 253 K, the crystals undergo jumpwise phase transitions into the incommensurate modulated
ferroelectric phase II and commensurate modulated phase III, respectively.
__________
Translated from Kristallografiya, Vol. 49, No. 1, 2004, pp. 92–100.
Original Russian Text Copyright ? 2004 by Kirpichnikova, Pietraszko, Bednarski, Waplak, Sheleg.
Dedicated to the 80th Birthday of L.A. Shuvalov 相似文献
9.
S. A. Sveleba I. V. Karpa I. N. Katerynchuk Yu. M. Furgala O. V. Semotyuk I. M. Kunyo E. I. Fitsych Yu. I. Pankivskyi 《Crystallography Reports》2013,58(1):122-128
The temperature dependences of birefringence in thin [N(CH3)4]2Zn0.58Cu0.42Cl4 crystals in the thickness range 20 × 10?6 ≤ d ≤ 500 ? 10?6 m have been investigated. An increase in the temperatures of the parent phase-incommensurate phase and incommensurate phase-ferroelectric phase transitions has been found. The reasons for the shift in the phase transition temperatures with a decrease in the thickness of [N(CH3)4]2Zn0.58Cu0.42Cl4 crystal and the size effect in crystals with an incommensurate superstructure are discussed. 相似文献
10.
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
11.
Xin-hua Lu Jing-jing Liang Jing Zhao Yong Zhang Ding-xian Jia 《Journal of chemical crystallography》2011,41(4):557-562
Abstract
Two neodymium thiostannates [Nd(dien)3]2[(Sn2S6)Cl2] (1) and [Nd(dien)3]2[(Sn2S6)(SH)2] (2) (dien = diethylenetriamine) were synthesized by the reaction of tin and sulfur in the presence of NdCl3 and Nd2O3, respectively under solvothermal conditions. Compounds 1 and 2 crystallize in monoclinic space group P21/n. Crystallographic data for 1: a = 11.6722(16), b = 15.119(2), c = 14.1566(19) ?, β = 96.213(3)°, V = 2483.6(6) ?3, Z = 4. For 2: a = 11.7190(14), b = 15.2168(19), c = 14.2209(18) ?, β = 95.775(4)°, V = 2523.1(5) ?3, Z = 4. The nine-coordinate [Nd(trien)3]3+ complex cation formed in situ acts as the counter ion to the [Sn2S6]4− anion. The [Nd(dien)3]3+, [Sn2S6]4− and Cl– (or SH–) ions form a 3-dimensional network structure through the N–H···S and N–H···Cl hydrogen bonds. 相似文献12.
The mononuclear complex [Ni(DACH)2](H2O)2(CH3COO)2 (DACH = 1,4-diazacyclo-heptane) has been synthesized and characterized by IR, UV-Vis, elemental analysis and single crystal
X-ray diffraction. The complex crystallizes in monoclinic system, P21/n space group with a=7.500(3) ?, b=8.788(3) ?, c=16.429(6) ?, β=93.395(5)°, D
c
=1.269 g cm−3, μ=0.930 mm−1, V=1080.9(6) ?3, Z=2. The central NiII atom is in a square-planar coordination geometry formed by four N atoms of two DACH chelated ligands. The notable feature
of the title compound resides in the formation of a three-dimensional network through hydrogen bonds between the [Ni(DACH)2]2+ cations, the CH3COO− counter anions and the guest water molecules trapped in the crystal lattice. 相似文献
13.
I. V. Morozov D. M. Palamarchuk V. F. Kozlovsky S. I. Troyanov 《Crystallography Reports》2010,55(3):386-392
Cs[VO2(NO3)2] (I), MoO2(NO3)2 (II), and Cs[MoO2(NO3)3] (III) complexes have been obtained by crystallization from nitric solutions and studied by single-crystal X-ray diffraction. Complexes
I and II contain infinite zigzag chains of similar compositions, [VO2(NO3)2]− and [MoO2(NO3)2], in which V and Mo atoms form, respectively, trigonal- and pentagonal-bipyramidal polyhedra. Each of these polyhedrons also
contains one terminal and two bridge O atoms and two terminal NO3 groups which are monodentate and bidentate in complexes I and II, respectively. Complex III has an island structure and consists of Cs+ cations and [MoO2(NO3)3]− anions, in which the Mo atom is surrounded by one bidentate NO3 group and two monodentate NO3 groups and two terminal O atoms in the cis-positions; oxygen atoms form a polyhedron in the form of distorted octahedron. According to the ab initio calculation of
isolated MoO2(NO3)2 molecules in the gas phase and solution, the coordination environment of the Mo atom, similarly to the Cr(VI) atom in CrO2(NO3)2, is formed by two bidentate nitrate groups and two terminal O atoms (polyhedron- twisted trigonal prism). 相似文献
14.
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
15.
Abstract
A new acetyl phosphorylamidate P(O)[NHC(O)C6H4(4-NO2)][N(CH(CH3)2)(CH2C6H5)]2 has been synthesized and characterized by elemental analysis, 1H, 13C and 31P NMR, IR and single crystal X-ray diffraction. Single crystal X-ray analysis shows that it belongs to triclinic system, space group P[`1] P\bar{1} , with a = 10.5868(16) Å, b = 11.8058(18) Å, c = 12.4364(19) Å, α = 65.410(3)°, β = 67.492(4)°, γ = 85.879(3)°, V = 1,298.6(3) Å3, and Z = 2. The intermolecular PO···HN hydrogen bond makes H-bonded dimer of molecule with Ci symmetry. In the crystal network, the dimers are aggregated in the chain arrays through π-stacking between p-NO2–C6H4–C(O)–NH– moieties. Moreover, weak C–H···O and C–H···π interactions exist in the crystal network. 相似文献16.
I. V. Morozov A. A. Fedorova D. V. Albov N. R. Kuznetsova I. A. Romanov V. B. Rybakov S. I. Troyanov 《Crystallography Reports》2008,53(2):237-245
The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na2[Co(NO3)4] (I) and K2[Co(NO3)4] (II)] and a chain structure [Ag[Co(NO3)3] (III) and K2[Ni(NO3)4] (IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO3)4]2? of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO3)4]2? of the crystal structure of compound II, one of the four NO3 groups is monodentate and the other NO3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO3)2(NO3)2/2]? and [Ni(NO3)3(NO3)2/2]2?, respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized. 相似文献
17.
Yapeng Shi Xinzhong Lu Feng Fu Ganglin Xue Huaiming Hu Jiwu Wang 《Journal of chemical crystallography》2005,35(12):1005-1010
A novel bifunctionalized arylimido derivative of hexamolybdate [n-Bu4N]2[Mo6O17(o,p-(MeO)2C6H3N)2] (1) was synthesized by self-assembled metathesis of α-type octamolybdate ion and 2,4-dimethoxyaniline and structurally characterized
by crystal X-ray diffraction. Crystallographic data for1: monoclinic system, space group:C2/c,a = 17.319(4),b = 18.087(4),c = 21.357(5) ?, β = 106.486(4),V = 6415(2) ?3, andZ = 4,Dc = 1.693 g/cm3,R1 = 0.0439. The complex has a short Mo–N bond length of 1.735(5) ? and an imido (Mo–N–C) bond angle of 177.8(4)∘. The complex has also been characterized by1H NMR, IR, and UV–vis spectroscopy. 相似文献
18.
Feng Liu Weiping Zhang Shuiyang He Liujie Wang Xiangrong Liu 《Journal of chemical crystallography》2008,38(10):755-760
Abstract A novel binuclear Smarium (III) complex with N-(2-propionic acid)-salicyloyl hydrazone (C10H10N2O4, H3L) was prepared and characterized. The crystal structure of [Sm2(H2L)2(HL)2(H2O)4] (1) was determined by X-ray single crystal diffractometry. 1 crystallizes in the monoclinic systerm, space group P2(1)/c,
with a = 0.10229(2), c = 31.549(7), b = 0.70599(15) nm, and Z = 4. In the structure, Sm(III) is nine-coordinated by carboxyl O and acyl O atoms and imido N atoms
of two ligands (H2L and HL forms) and O atoms from two water molecules. H2L and HL act as tridentate ligands which form two stable five-numbered chelating rings sharing one edge in the keto form for
each ligand, and the carboxyl groups of two ligands were coordinated via bidentated bridging form. The coordination polyhedron
around Sm (III) was described as a monocapped square antiprism. The inter- and intramolecular hydrogen bonds resulted in a
three-dimensional network and provided extra stability for the structure. The complex was researched the interaction with
calf thymus DNA by electronic absorption titration and emission titration. The results show that the complex is bound to calf
thymus DNA mainly by intercalation .The complex also shows good fluorescence property.
Index Abstract The title compound, [Sm2(H2L)2(HL)2(H2O)4] was synthesized by the treatment of N-(2-propionic acid)-salicyloyl hydrazone (C10H10N2O4, H3L) and Sm(NO3) · 4H2O and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that Sm (III) is nine-coordinated
by carboxyl O and acyl O atoms and imido N atoms of two ligands (H2L and HL forms) and O atoms from two water molecules. The carboxyl groups of two ligands were coordinated via bidentated bridging
form. The coordination polyhedron around Sm (III) was described as a monocapped square antiprism. The inter- and intramolecular
hydrogen bonds resulted in a three-dimensional network and provided extra stability for the structure.
相似文献
19.
The N‐N dimethyl benzylammonium tetrachlorothallate (III) [C6H5CH2NH(CH3)2]TlCl4 crystallizes in the monoclinic system P21/n at room temperature with the following unit cell dimensions: a = 7.725(3) Å, b = 14.080(5) Å, c = 13.697(4) Å, β = 91.2(2)° with Z = 4. The structure shows a layer arrangement perpendicular to the b axis: planes of [TlCl4]‐ tetrahedra alternate with planes of [C6H5CH2NH(CH3)2]+ cations. The cohesion of the atomic arrangement is ensured by hydrogen bonds N‐H…Cl. Differential scanning calorimetric and optical birefringence measurements reveals a phase transition at T = 339K. Raman spectroscopic study and dielectric measurements were performed to discuss the mechanism of the phase transition. (© 2007 WILEY ‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
20.
S. A. Sveleba I. V. Karpa I. M. Katerynchuk I. M. Kunyo E. I. Phitsych 《Crystallography Reports》2014,59(2):229-237
The change in the phase-transition temperature of [N(CH3)4]2Zn0.75Mn0.25Cl4 crystal as a function of its size (3500 μm-1 μm) has been investigated. It is established that a decrease in crystal sizes along the spontaneous-polarization axis is accompanied by several effects: a shift of the initial phase-incommensurate phase transition point to higher temperatures, an increase in the temperature range of existence of incommensurate phase, an increase in the temperature range of existence of metastable states of incommensurate structure, the occurrence of new long-period commensurate phases, and an increase in phase-transition temperature hysteresis at T c and T 3. The possibility that a size effect exists in the phase diagram of this crystal is discussed. 相似文献