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1.
A novel metallo‐organically templated pentaborate with layered framework, [Cd(TETA)(C2H3O2)][B5O6(OH)4] ( 1 ) (TETA = triethylenetramine), was synthesized under mild solvothermal conditions. The structure was determined by single‐crystal X‐ray diffraction and further characterized by FT‐IR spectroscopy, elemental analysis, thermogravimetric analysis, and photoluminescence spectroscopy. The structure consists of an isolated polyborate anion [B5O6(OH)4]– and the cadmium complex cation of [Cd(TETA)(C2H3O2)]+, which contains both organic amine and organic acid ligands. The [B5O6(OH)4]– units are connected together by hydrogen bonds, and a 2D sheet‐like framework with rectangle‐like 12‐membered boron rings are formed. The [Cd(TETA)(C2H3O2)]+ complex cations are located in the free space between the layers and connect the adjacent borate layers through hydrogen bonds to form a three‐dimensional supramolecular network. The luminescent properties of the compound were studied for the first time in the series of metallo‐organically‐templated pentaborates, and a blue luminescence occurs with an emission maximum at 468 nm upon excitation at 397 nm. 相似文献
2.
Shu‐Li Wu Huan‐Xin Liu Xiao Jiang Zhi‐Dong Shao Yun‐Xiao Liang 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):m308-m310
The title compound, [Zn(C2H3O2)(C6H18N4)][B5O6(OH)4], contains mixed‐ligand [Zn(CH3COO)(teta)]+ complex cations (teta is triethylenetetramine) and pentaborate [B5O6(OH)4]− anions. The [B5O6(OH)4]− anions are connected to one another through hydrogen bonds, forming a three‐dimensional supramolecular network, in which the [Zn(CH3COO)(teta)]+ cations are located. 相似文献
3.
利用水热法合成了两种过渡金属配合物为模板剂的含水硼酸盐晶体Co(en)3[B4O5(OH)4]Cl·3H2O(1) 和 [Ni(en)3][B5O6(OH)4]2·2H2O (2),并通过元素分析、X射线单晶衍射、红外光谱及热重分析对其进行了表征。化合物1晶体结构的主要特点是在所有组成Co(en)33+, [B4O5(OH)4]2–, Cl– 和 H2O之间通过O–H…O、O–H…Cl、N–H…Cl和N–H…O四种氢键连接形成网状超分子结构。化合物2晶体结构的特点是[B5O6(OH)4]–阴离子通过O–H…O氢键连接形成沿a方向有较大通道的三维超分子骨架,模板剂[Ni(en)3]2+阳离子和结晶水分子填充在通道中。 相似文献
4.
Michael Wiebcke Jrg Emmer Jürgen Felsche Dagobert Hoebbel Günter Engelhardt 《无机化学与普通化学杂志》1994,620(4):757-765
[TMPA]4[Si8O20] · 34 H2O ( 1 ) and [DDBO]4[Si8O20] · 32 H2O ( 2 ) have been prepared by crystallization from aqueous solutions of the respective quaternary alkylammonium hydroxide and SiO2. The crystal structures have been determined by single-crystal X-ray diffraction. 1 : Monoclinic, a = 16.056(2), b = 22.086(6), c = 22.701(2) Å, β = 90.57(1)° (T = 210 K), space group C2/c, Z = 4. 2 : Monoclinic, a = 14.828(9), b = 20.201(7), c = 15.519(5) Å, β = 124.13(4)° (T = 255 K), space group P21/c, Z = 2. The polyhydrates are structurally related host-guest compounds with three-dimensional host frameworks composed of oligomeric [Si8O20]8? anions and H2O molecules which are linked via hydrogen bonds. The silicate anions possess a cube-shaped double four-ring structure and a characteristic local environment formed by 24 H2O molecules and six cations (TMPA, [C8H20N2]2+, or DDBO, [C8H18N2]2+). The cations themselves reside as guest species in large, irregular, cage-like voids. Studies employing 29Si NMR spectroscopy and the trimethylsilylation method have revealed that the saturated aqueous solutions of 1 and 2 contain high proportions of double four-ring silicate anions. Such anions are also abundant species in the saturated solution of the heteronetwork clathrate [DMPI]6[Si8O18(OH)2] · 48.5 H2O ( 3 ) with 1,1-dimethylpiperidinium (DMPI, [C7H16N]+) guest cations. 相似文献
5.
Shao‐Min Lan Wen‐Jing Di Zhi‐Dong Shao Yun‐Xiao Liang 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(11):m338-m341
The two isomorphous title compounds, [1,5,9‐tris(2‐aminoethoxy)‐3,7,11‐trihydroxy‐3,7,11‐tribora‐1,5,9‐triborata‐2,4,6,8,10,12‐hexaoxa‐13‐oxoniatricyclo[7.3.1.05,13]tridecane]cobalt(II), [Co(C6H21B6N3O13)] or Co{B6O7(OH)3[O(CH2)2NH2]3}, and the NiII analogue, [Ni(C6H21B6N3O13)], each consist of an MII cation and an inorganic–organic hybrid {B6O7(OH)3[O(CH2)2NH2]3}2− anion. The MII cation lies on a crystallographic threefold axis (as does one O atom) and is octahedrally coordinated by three N atoms from the organic component. Three O atoms covalently link the B–O cluster and the organic component. Molecules are connected to one another through N—H...O and O—H...O hydrogen bonds, forming a three‐dimensional supramolecular network. 相似文献
6.
A novel organically templated copper pentaborate, [Cu(C3N2H4)4][Cu(CH3COO)2(C3N2H4)2(H2O)2]‐ [B5O6(OH)4]2, was synthesized by hydrothermal reaction and characterized by elemental analysis, single‐crystal X‐ray diffraction, FT‐IR spectroscopy, Raman spectroscopy and TGA. The crystal structure of this compound consists of two copper‐centered polyhedra and two discrete [B5O6(OH)4]? pentaborate anions, which are linked together through intensive hydrogen bonding interactions, forming a 3D framework with large channels along c axis. The discrete pentaborate anions form infinite layers by hydrogen bonds. Moreover, the two crystallographically different octahedral coppers are connected by common oxygen atom to form an infinite chain. 相似文献
7.
Darren S. Lee Mark R. J. Elsegood Carl Redshaw Shuzhong Zhan 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):m291-m295
The crystal structures of acetonitrile solvates of two related lithium calixarene complexes have been determined by low‐temperature single‐crystal X‐ray diffraction using synchrotron radiation. Bis(μ‐5,11,17,23‐tetra‐tert‐butyl‐26,28‐dihydroxy‐25‐methoxy‐27‐oxidocalix[4]arene)dilithium(I) acetonitrile tetrasolvate, [Li2(C45H57O4)2]·4C2H3N or [p‐tert‐butylcalix[4]arene(OMe)(OH)2(OLi)]2·4MeCN, (I), crystallizes with the complex across a centre of symmetry and with four molecules of unbound acetonitrile of crystallization per complex. Tetraacetonitrilebis(μ‐5,11,17,23‐tetra‐tert‐butyl‐26,28‐dihydroxy‐25,27‐dioxidocalix[4]arene)tetralithium(I) acetonitrile octasolvate, [Li4(C44H54O4)2(C2H3N)4]·8C2H3N or {p‐tert‐butylcalix[4]arene(OH)2(OLi)[OLi(NCMe)2]}2·8MeCN, (II), also crystallizes with the complex lying across a centre of symmetry and contains eight molecules of unbound acetonitrile per complex plus four more directly bound to two of the lithium ions, two on each ion. The cores of both complexes are partially supported by O—H...O hydrogen bonds. The methoxy methyl groups in (I) prevent the binding of any more than two Li+ ions, while the corresponding two O‐atom sites in (II) bind an extra Li+ ion each, making four in total. The calixarene cone adopts an undistorted cone conformation in (I), but an elliptical one in (II). 相似文献
8.
Abstract Polyborates were prepared by slow hydrolysis of boric acid esters B(OR)3 (R=CH3, i-C3H7, n-C4H9, c-C6H11, n-C8H17) in organic solvents such as acetone in the presence of solutions of quaternary tetraphenylphosphonium or triphenylmethylphosphonium hydroxides. Some amines, some ammonium hydroxides or, for comparison, tetraphenylarsonium hydroxide with a small quantity of water. The basic component must be basic enough and should be bulky; the less bulky bases build pentaborates, the more bulky ones heptaborates, independent of molar ratios, if only the boron concentration is sufficient. The acetone containing pentaborates [(C6H5)4P] [B5O6(OH)4] 0,5 acetone and [(C6H5)3PCH3] [B5O6(OH)4] 0,5 acetone were isolated, in contrary to the solvent free [(C6H5)4As] [B5O6(OH)4]. Heptaborates with the anion [B7O6(OH)10] are formed with tetra-n-butyl-ammonium and tri-n-butylbenzylammonium cations. 相似文献
9.
Padavattan Govindaswamy Julien Furrer Georg Süss‐Fink Bruno Therrien 《无机化学与普通化学杂志》2008,634(8):1349-1352
A large cationic triangular metallo‐prism, [Ru6(p‐PriC6H4Me)6(tpt)2(dhbq)3]6+ ( 1 )6+, incorporating p‐cymene ruthenium building blocks, bridged by 2,5‐dihydroxy‐1,4‐benzoquinonato (dhbq) ligands, and connected by two 2,4,6‐tri(pyridin‐4‐yl)‐1,3,5‐triazine (tpt) subunits, allows the permanent encapsulation of the triphenylene derivatives hexahydroxytriphenylene, C18H6(OH)6 and hexamethoxytriphenylene, C18H6(OMe)6. These two cationic carceplex systems [C18H6(OH)6⊂ 1 ]6+ and [C18H6(OMe)6⊂ 1 ]6+ have been isolated as their triflate salts. The molecular structure of these systems has been established by one‐dimensional 1H ROESY NMR experiments as well as by the single‐crystal structure analysis of [C18H6(OMe)6⊂ 1 ][O3SCF3]6. 相似文献
10.
Hydrothermal investigations in the system MgO/B2O3/P2O5(/H2O) yielded two new magnesium borophosphates, Mg2(H2O)[BP3O9(OH)4] and Mg(H2O)2[B2P2O8(OH)2]·H2O. The crystal structures were solved by means of single crystal X‐ray diffraction. While the acentric crystal structure of Mg2(H2O)[BP3O9(OH)4] (orthorhombic, P212121 (No. 19), a = 709.44(5) pm, b = 859.70(4) pm, c = 1635.1(1) pm, V = 997.3(3) × 106 pm3, Z = 4) contains 1D infinite chains of magnesium coordination octahedra interconnected by a borophosphate tetramer, Mg(H2O)2[B2P2O8(OH)2]·H2O (monoclinic, P21/c (No. 14), a = 776.04(5) pm, b = 1464.26(9) pm, c = 824.10(4) pm, β = 90.25(1)°, V = 936.44(9) × 106 pm3,Z = 4) represents the first layered borophosphate with 63 net topology. The structures are discussed and classified in terms of structural systematics. 相似文献
11.
Karel Mach Jií Kubita Ivana Císaov Petr tpni
ka 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m116-m118
Reacting stoichiometric amounts of 1‐(diphenylphosphino)ferrocenecarboxylic acid and [Ti(η5‐C5HMe4)2(η2‐Me3SiC[triple‐bond]CSiMe3)] produced the title carboxylatotitanocene complex, [{μ‐1κ2O,O′:2(η5)‐C5H4CO2}{2(η5)‐C5H4P(C6H5)2}{1(η5)‐C5H(CH3)4}2FeIITiIII] or [FeTi(C9H13)2(C6H4O2)(C17H14P)]. The angle subtended by the Ti/O/O′ plane, where O and O′ are the donor atoms of the κ2‐carboxylate group, and the plane of the carboxyl‐substituted ferrocene cyclopentadienyl is 24.93 (6)°. 相似文献
12.
Takashi Kajiwara Kensuke Katagiri Shinya Takaishi Masahiro Yamashita Nobuhiko Iki 《化学:亚洲杂志》2006,1(3):349-351
A dodecaholmium wheel of [Ho12(L)6(mal)4(AcO)4(H2O)14] ( 1 ; mal=malonate) was synthesized by using p‐tert‐butylsulfonylcalix[4]arene (H4L) as a cluster‐forming ligand. The wheel consists of three fragments of mononuclear A3? ([Ho(L)(mal)(H2O)]3?), trinuclear B3? ([Ho(H2O)2(mal)(Ho(L)(AcO))2]3?), and C3+ ([Ho(H2O)2]3+), and an alternate arrangement of these fragments (A3?? C3+? B3?? C3+? A3?? C3+? B3?? C3+? ) results in a wheel structure. The longest and shortest diameters of the core were estimated to be 17.7562(16) and 13.6810(13) Å, respectively, and the saddle‐shaped molecule possesses a pocketlike cavity inside. 相似文献
13.
Meng Wen Zu‐Ping Xiao Chun‐Ya Wang Xi‐He Huang 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(2):136-139
The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene‐1,4‐dicarboxylic acid (H2bdc) and 1,10‐phenanthroline‐5,6‐dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2 fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3‐OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2− ligands are fully deprotonated and adopt μ3‐κO:κO′:κO′′ and μ4‐κO:κO′:κO′′:κO′′′ coordination modes, bridging three or four ZnII cations, respectively, from two Zn4(OH)2 units. The Zn4(OH)2 fragment connects six neighbouring tetranuclear units through four μ3‐bdc2− and two μ4‐bdc2− ligands, forming a three‐dimensional framework with uninodal 6‐connected α‐Po topology, in which the tetranuclear Zn4(OH)2 units are considered as 6‐connected nodes and the bdc2− ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2 unit and are connected to it through hydrogen‐bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4‐bdc2− ligands. 相似文献
14.
Influence of Cyclopentadienyl Ring‐Tilt on Electron‐Transfer Reactions: Redox‐Induced Reactivity of Strained [2] and [3]Ruthenocenophanes
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Dr. Andrew D. Russell Prof. Joe B. Gilroy Prof. Kevin Lam Dr. Mairi F. Haddow Prof. Jeremy N. Harvey Prof. William E. Geiger Prof. Ian Manners 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(49):16216-16227
In contrast to ruthenocene [Ru(η5‐C5H5)2] and dimethylruthenocene [Ru(η5‐C5H4Me)2] ( 7 ), chemical oxidation of highly strained, ring‐tilted [2]ruthenocenophane [Ru(η5‐C5H4)2(CH2)2] ( 5 ) and slightly strained [3]ruthenocenophane [Ru(η5‐C5H4)2(CH2)3] ( 6 ) with cationic oxidants containing the non‐coordinating [B(C6F5)4]? anion was found to afford stable and isolable metal?metal bonded dicationic dimer salts [Ru(η5‐C5H4)2(CH2)2]2[B(C6F5)4]2 ( 8 ) and [Ru(η5‐C5H4)2(CH2)3]2[B(C6F5)4]2 ( 17 ), respectively. Cyclic voltammetry and DFT studies indicated that the oxidation potential, propensity for dimerization, and strength of the resulting Ru?Ru bond is strongly dependent on the degree of tilt present in 5 and 6 and thereby degree of exposure of the Ru center. Cleavage of the Ru?Ru bond in 8 was achieved through reaction with the radical source [(CH3)2NC(S)S?SC(S)N(CH3)2] (thiram), affording unusual dimer [(CH3)2NCS2Ru(η5‐C5H4)(η3‐C5H4)C2H4]2[B(C6F5)4]2 ( 9 ) through a haptotropic η5–η3 ring‐slippage followed by an apparent [2+2] cyclodimerization of the cyclopentadienyl ligand. Analogs of possible intermediates in the reaction pathway [C6H5ERu(η5‐C5H4)2C2H4][B(C6F5)4] [E=S ( 15 ) or Se ( 16 )] were synthesized through reaction of 8 with C6H5E?EC6H5 (E=S or Se). 相似文献
15.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(5):590-598
Crystals of mononuclear tris[bis(2,6‐diisopropylphenyl) phosphato‐κO]pentakis(methanol‐κO)lanthanide methanol monosolvates of lanthanum, [La(C24H34O4P)3(CH3OH)5]·CH3OH, ( 1 ), cerium, [Ce(C24H34O4P)3(CH3OH)5]·CH3OH, ( 2 ), and neodymium, [Nd(C24H34O4P)3(CH3OH)5]·CH3OH, ( 3 ), have been obtained by reactions between LnCl3(H2O)n (n = 6 or 7) and lithium bis(2,6‐diisopropylphenyl) phosphate in a 1:3 molar ratio in methanol media. Compounds ( 1 )–( 3 ) crystallize in the monoclinic P21/c space group and have isomorphous crystal structures. All three bis(2,6‐diisopropylphenyl) phosphate ligands display a κO‐monodentate coordination mode. The coordination number of the metal atom is 8. Each [Ln{O2P(O‐2,6‐iPr2C6H3)2}3(CH3OH)5] molecular unit exhibits four intramolecular O—H…O hydrogen bonds, forming six‐membered rings. The unit forms two intermolecular O—H…O hydrogen bonds with one noncoordinating methanol molecule. All six hydroxy H atoms are involved in hydrogen bonding within the [Ln{O2P(O‐2,6‐iPr2C6H3)2}3(CH3OH)5]·CH3OH unit. This, along with the high steric hindrance induced by the three bulky diaryl phosphate ligands, prevents the formation of a hydrogen‐bond network. Complexes ( 1 )–( 3 ) exhibit disorder of two of the isopropyl groups of the phosphate ligands. The cerium compound ( 2 ) demonstrates an essential catalytic inhibition in the thermal decomposition of polydimethylsiloxane in air at 573 K. Catalytic systems based on the neodymium complex tris[bis(2,6‐diisopropylphenyl) phosphato‐κO]neodymium, ( 3′ ), which was obtained as a dry powder of ( 3 ) upon removal of methanol, display a high catalytic activity in isoprene and butadiene polymerization. 相似文献
16.
Pentazole Derivates and Azides Formed from them: Potassium‐Crown‐Ether Salts of [O3S—p‐C6H4—N5]— and [O3S—p‐C6H4—N3]— —O3S—p‐C6H4—N2+ was reacted with sodium azide at —50 °C in methanol, yielding a mixture of 4‐pentazolylbenzenesulfonate and 4‐azidobenzenesulfonate (amount‐of‐substance ratio 27:73 according to NMR). By addition of KOH in methanol at —50 °C a mixture of the potassium salts K[O3S—p‐C6H4—N5] and K[O3S—p‐C6H4—N3] was precipitated (ratio 60:40). A solution of this mixture along with 18‐crown‐6 in tetrahydrofurane yielded the crystalline pentazole derivate [THF‐K‐18‐crown‐6][O3S—p‐C6H4—N5]·THF by addition of petrol ether at —70 °C. From the same solution upon evaporation and redissolution in THF/petrol ether the crystalline azide [THF‐K‐18‐crown‐6][O3S—p‐C6H4—N3]·THF was obtained. A solution of the latter in chloroform/toluene under air yielded [K‐18‐crown‐6][O3S—p‐C6H4—N3]·1/3H2O. According to their X‐ray crystal structure determinations [THF‐K‐18‐crown‐6][O3S—p‐C6H4—N5]·THF and [THF‐K‐18‐crown‐6][O3S—p‐C6H4—N3]·THF have the same kind of crystal packing. Differences worth mentioning exist only for the atomic positions of the pentazole ring as compared to the azido group and for one THF molecule which is coordinated to the potassium ion; different orientations of the THF molecule take account for the different space requirements of the N5 and the N3 group. In [K‐18‐crown‐6][O3S—p‐C6H4—N3]·1/3H2O there exists one unit consisting of one [K‐18‐crown‐6]+ and one [O3S‐C6H4—N3]— ion and another unit consisting of two [O3S‐C6H4—N3]— ions joined via two [K‐18‐crown‐6]+ ions and one water molecule. The rate constants for the decomposition [O3S‐C6H4—N5]— → [O3S‐C6H4—N3]— + N2 in methanol were determined at 0 °C and —20 °C. 相似文献
17.
Two new organically templated borates, [H2DAB][B7O9(OH)5]·2H2O ( 1 ) and [H2DAB][B7O10(OH)3] ( 2 ), have been synthesized under mild conditions in the presence of DAB acting as structure‐directing agent (DAB = 1,4‐diaminobutane). The structures were determined by single crystal X‐ray diffraction and further characterized by FTIR, elemental analysis, and thermogravimetric analysis. Both 1 and 2 crystallize in the same triclinic system, space group (No. 2); 1: a = 8.238(4) Å, b = 8.348 (5) Å, c = 14.574(8) Å, a = 101.050(3)°, β = 92.313(7)°, γ = 112.694(5)°, V = 900.3(8) Å3, Z = 2; 2: a = 8.8769(3) Å, b = 9.3204(2) Å, c = 10.2204(5) Å, α = 74.474(2)°, β = 85.292(5)°, γ = 72.730(2)°, V = 778.01(5) Å3, Z = 2. The structure of 1 consists of [B7O9(OH)5]2? groups, which represents the first example of organically templated heptaborate. The structure exhibits interesting hydrogen‐bonded network formed by borate polyanion [B14O20(OH)6]4?, which can be regarded as being constructed from the dehydration of the FBBs in 1 . The diprotonated organic amines are filled in the free space of the hydrogen‐bonded network and interact with the inorganic framework by extensive hydrogen bonds. 相似文献
18.
Daniel E. Vicentes Ricaurte Rodríguez Patricia Ochoa Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(10):1405-1416
A concise and efficient synthesis of a series of amino‐substituted benzimidazole–pyrimidine hybrids has been developed, starting from the readily available N4‐(2‐aminophenyl)‐6‐methoxy‐5‐nitrosopyrimidine‐2,4‐diamine. In each of N5‐benzyl‐6‐methoxy‐4‐(2‐phenyl‐1H‐benzo[d]imidazol‐1‐yl)pyrimidine‐2,5‐diamine, C25H22N6O, (I), 6‐methoxy‐N5‐(4‐methoxybenzyl)‐4‐[2‐(4‐methoxyphenyl)‐1H‐benzo[d]imidazol‐1‐yl]pyrimidine‐2,5‐diamine, C27H26N6O3, (III), 6‐methoxy‐N5‐(4‐nitrobenzyl)‐4‐[2‐(4‐nitrophenyl)‐1H‐benzo[d]imidazol‐1‐yl]pyrimidine‐2,5‐diamine, C25H20N8O5, (IV), the molecules are linked into three‐dimensional framework structures, using different combinations of N—H…N, N—H…O, C—H…O, C—H…N and C—H…π hydrogen bonds in each case. Oxidative cleavage of 6‐methoxy‐N5‐(4‐methylbenzyl)‐4‐[2‐(4‐methylphenyl)‐1H‐benzo[d]imidazol‐1‐yl]pyrimidine‐2,5‐diamine, (II), with diiodine gave 6‐methoxy‐4‐[2‐(4‐methylphenyl)‐1H‐benzo[d]imidazol‐1‐yl]pyrimidine‐2,5‐diamine, which crystallized as a monohydrate, C19H18N6O·H2O, (V), and reaction of (V) with trifluoroacetic acid gave two isomeric products, namely N‐{5‐amino‐6‐methoxy‐6‐[2‐(4‐methylphenyl)‐1H‐benzo[d]imidazol‐1‐yl]pyrimidin‐2‐yl}‐2,2,2‐trifluoroacetamide, which crystallized as an ethyl acetate monosolvate, C21H17F3N6O2·C4H8O2, (VI), and N‐{2‐amino‐6‐methoxy‐4‐[2‐(4‐methylphenyl)‐1H‐benzo[d]imidazol‐1‐yl]pyrimidin‐5‐yl}‐2,2,2‐trifluoroacetamide, which crystallized as a methanol monosolvate, C21H17F3N6O2·CH4O, (VIIa). For each of (V), (VI) and (VIIa), the supramolecular assembly is two‐dimensional, based on different combinations of O—H…N, N—H…O, N—H…N, C—H…O and C—H…π hydrogen bonds in each case. Comparisons are made with some related structures. 相似文献
19.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(6):673-682
The reactions of K[(2,6‐iPr2C6H3‐O)2POO] either with LaCl3(H2O)7 or with Nd(NO3)3(H2O)6 in a 3:1 molar ratio, followed by vacuum drying and recrystallization from alkanes, have led to the formation of diaquapentakis[bis(2,6‐diisopropylphenyl) phosphato]‐μ‐hydroxido‐dilanthanum hexane disolvate, [La2(C24H34O4P)5(OH)(H2O)2]·2C6H14, ( 1 )·2(hexane), and tetraaquatetrakis[bis(2,6‐diisopropylphenyl) phosphato]‐μ‐hydroxido‐dineodymium bis(2,6‐diisopropylphenyl) phosphate heptane disolvate, [Nd2(C24H34O4P)4(OH)(H2O)4]·2C6H14, ( 2 )·2(heptane). The compounds crystalize in the P21/n and P space groups, respectively. The diaryl‐substituted organophosphate ligand exhibits three different coordination modes, viz. κ2O,O′‐terminal [in ( 1 ) and ( 2 )], κO‐terminal [in ( 1 )] and μ2‐κ1O:κ1O′‐bridging [in ( 1 ) and ( 2 )]. Binuclear structures ( 1 ) and ( 2 ) are similar and have the same unique Ln2(μ‐OH)(μ‐OPO)2 core. The structure of ( 2 ) consists of an [Nd2{(2,6‐iPr2C6H3‐O)2POO}4(OH)(H2O)4]+ cation and a [(2,6‐iPr2C6H3‐O)2POO]− anion, which are bound via four intermolecular O—H…O hydrogen bonds. The molecular structure of ( 1 ) displays two O—H…O hydrogen bonds between OH/H2O ligands and a κ1O‐terminal organophosphate ligand, which resembles, to some extent, the `free' [(2,6‐iPr2C6H3‐O)2POO]− anion in ( 2 ). NMR studies have shown that the formation of ( 1 ) undoubtedly occurs due to intramolecular hydrolysis during vacuum drying of the aqueous La tris(phosphate) complex. Catalytic experiments have demonstrated that the presence of the coordinated hydroxide anion and water molecules in precatalyst ( 2 ) substantially lowered the catalytic activity of the system prepared from ( 2 ) in butadiene and isoprene polymerization compared to the catalytic system based on the neodymium tris[bis(2,6‐diisopropylphenyl) phosphate] complex, which contains neither OH nor H2O ligands. 相似文献
20.
Young‐Inn Kim Young‐Kwang Song Daeyoung Kim Sung Kwon Kang 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(10):908-911
Metal complexes with Schiff base ligands have been suggested as potential phosphors in electroluminescent devices. In the title complex, tetrakis[6‐methyl‐2‐({[(pyridin‐2‐yl)methyl]imino}methyl)phenolato‐1:2κ8N,N′,O:O;3:2κ8N,N′,O:O]trizinc(II) hexafluoridophosphate methanol monosolvate, [Zn3(C14H13N2O)4](PF6)2·CH3OH, the ZnII cations adopt both six‐ and four‐coordinate geometries involving the N and O atoms of tetradentate 6‐methyl‐2‐({[(pyridin‐2‐yl)methyl]imino}methyl)phenolate ligands. Two terminal ZnII cations adopt distorted octahedral geometries and the central ZnII cation adopts a distorted tetrahedral geometry. The O atoms of the phenolate ligands bridge three ZnII cations, forming a dicationic trinuclear metal cluster. The title complex exhibits a strong emission at 469 nm with a quantum yield of 15.5%. 相似文献