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1.
The title compound (C4N2H12)2Zr(C2O4)4·H2O 1 was synthesized by the reaction of ZrOCl2·8H2O, H2C2O4·2H2O and piperazinium in aqueous solution. Single-crystal X-ray analysis has revealed that compound 1 (C16H26N4O17Zr, Mr = 637.63) crystallizes in the monoclinic system, space group P21/c with a = 9.0425(3), b = 13.3844(3), c = 19.1191(5)A, β = 98.365(1)o, V = 2289.34(11) A3, Z = 4, Dc = 1.850 g/cm3, F(000) = 1304, μ = 0.577 mm-1, the final R = 0.0240 and wR = 0.0628 for 4386 observed reflections with I > 2σ(I). X-ray crystal-structure analysis suggests that compound 1 consists of [Zr(C2O4)4]4- anion and two protonated piperazinium cations. The anions are linked through hydrogen bonds of piperazinium. FT-IR and Raman spectra clearly show the existence of oxalate groups in the crystal lattice. 相似文献
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3.
《Journal of Coordination Chemistry》2012,65(11):967-973
Reaction of a freshly prepared Ni(OH)2?2 x (CO3) x ·yH2O with maleic acid in H2O at room temperature afforded [Ni(H2O)6][Ni(H2O)2(C4H2O4)]·4H2O, which consists of [Ni(H2O)6]2+ cations, [Ni(H2O)2(C4H2O4)]2? anions and lattice H2O molecules. Ni atoms in cations are octahedrally coordinated and Ni atoms in anions are each octahedrally coordinated by bidentate chelating maleato ligands and two water molecules at trans positions. Cations and anions are interlinked by hydrogen bonds to form 1D chains, which are hexagonally arranged and connected by the lattice water molecules. When heated in a flowing argon stream, the compound decomposes, with complete dehydration being followed by dissociation of nickel maleate into NiO and maleic anhydride. 相似文献
4.
WANG Xiao-Qin WEN Yi-Hang KANG Yao ZHANG Jian CHENG Jian-Kai LI Zhao-Ji YAO Yuan-Gen 《结构化学》2006,25(1)
The title compound, [Cu(phen)2(SO4)(H2O)]·0.5C4H4O4·7H2O (phen = 1,10-phe-nanthroline and C4H4O4 = fumaric acid), has been synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic, space group P with a = 11.4827(2), b = 11.9086(2), c = 13.77350(10)(A), α = 80.6830(10), β = 66.6480(10), γ = 64.0480(10)o, V = 1554.63(4) (A)3, Mr = 722.17, Z = 2, Dc = 1.543 g/cm3, μ = 0.845 mm-1, F(000) = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections (I > 2σ(I)). The compound contains a six-coordinated copper(II) center, which is surround by four N atoms of two phen ligands (Cu-N distances in the range of 1.997(2)~2.225(2)(A)), one sulfate O atom (Cu-O = 2.0037(17) (A)) and one water O atom (Cu-O(5w) = 2.719(2) (A)) in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands are also discussed. The combination of non-covalent interactions leads to the formation of a 3-D network structure. 相似文献
5.
《Journal of Coordination Chemistry》2012,65(19):3458-3468
Two organic–inorganic compounds based on Keggin building blocks have been synthesized by hydrothermal methods, (C7N2H7)3(C7N2H6)?·?PMo12O40?·?2H2O (1) and (C7N2H7)3(C7N2H6)2?·?AsMo12O40?·?3H2O (2) (C7N2H6?=?benzimidazole). Single-crystal X-ray analysis revealed that 1 crystallized in the triclinic system, P-1 space group with a?=?9.8980(4)?Å, b?=?11.2893(4)?Å, c?=?25.8933(9)?Å, α?=?93.307(2)°, β?=?90.630(2)°, γ?=?108.330(2)°, V?=?2740.68(18)?Å3, Z?=?2, R 1(F)?=?0.0740, ωR 2(F 2)?=?0.1511, and S?=?1.037; 2 crystallized in the triclinic system, P-1 space group with a?=?12.3353(4)?Å, b?=?13.2649(4)?Å, c?=?20.2878(6)?Å, α?=?95.6630(10)°, β?=?100.1720(10)°, γ?=?99.3940(10)°, V?=?3195.72(17)?Å3, Z?=?2, R 1(F)?= 0.0329, ωR2 (F 2)?=?0.1236, and S?=?1.088. The two compounds show a layer framework constructed from Keggin-polyoxoanion clusters and benzimidazole via hydrogen bonds and π–π stacking interactions, resulting in a 3-D supramolecular network. Both have high catalytic activity for oxidation of methanol. When the initial concentration of the methanol is 5.37?g?m?3 in air and the flow velocity is 4.51?mL?min?1, methanol is completely eliminated at 150°C for 1 (160°C for 2). 相似文献
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Synthesis and Crystal Structure of a Hydrogen-bonded Supramolecular Compound [(C6H5N2O)3·Cu1.5]·6H2O
A hydrogen-bonded supermolecular compound [(C6H5N2O)3·Cu1.5](6H2O was syn- thesized from picolinamide and Cu(NO3)2·6H2O at the presence of sodium pyrophosphate deca- hydrate. It crystallizes in triclinic, space group P with a = 1.05947(8), b = 1.09130(8), c = 1.11456(8) nm, α = 67.8460(10), β = 84.497(1), γ = 74.6210(10)°, C18H27Cu1.5N6O9, Mr = 566.77, V = 1.15077(15) nm3, Z = 2, Dc = 1.636 g/cm3, F(000) = 585, μ = 1.461 mm-1, R1 = 0.0278 and wR2 = 0.0749. In the complex, the Cu(II) ion reveals a distorted tetradentate plane-tetragonal geometry. The structure consists of neutral two-dimensional layers via hydrogen bonds O-H…O and N-H…O between the molecules, and the layers are connected by weak interactions of the Cu-Cu, Cu-N, π-π and hydrogen bonds to form a three-dimensional network structure. 相似文献
7.
A new one-dimensional azido-bridged manganese compound has been prepared and structurally characterized by X-ray diffraction. The complex [Mn(N3)2(H2O)3·C6H12N4]n crystallizes in space group Pnma with a = 6.5252 (5), b = 9.3226(7), c = 22.2070(15)(A), V = 1350.89(17)(A)3, Z = 4, Mr = 333.24, Dc = 1.639 g/cm3, μ= 1.005 mm-1 and F(000) = 692. The final refinement gave R = 0.0328 and wR = 0.0777 for 1085 observed reflections with I > 2σ(I). The structure contains [Mn- (N3)2(H2O)3]n polymeric chains and uncoordinated hexamethylenetetramine (HMTA) molecules with Mn/HMTA molar ratio of 1:1. The Mn atoms are bridged by end-to-end azido ligands to construct one-dimensional zig-zag infinite chains. Each Mn atom is six-coordinated by three N atoms of three azido ligands and three water O atoms, resulting in an octahedral geometry. Extending hydrogen- bonding interactions involving water O atoms, azido and HMTA N atoms link the chains and HMTA molecules into a three-dimensional network. 相似文献
8.
The crystals of the title compounds (H3O)(C3H5N2)[Mn(OH)6Mo6O18]·3.5H2O 1 and (H3O)3[Co(OH)6Mo6O18]·7H2O 2 have been prepared and structurally determined by X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group C2/c with a = 21.5018(9), b = 10.9331(5), c = 11.8667(5)A,β = 95.3570(10)o, V = 2777.5(2)A3, Z = 4, Dc = 2.802 g/cm3, Mr = 1171.80,μ(MoKα) = 3.173 mm-1, F(000) = 223, the final R = 0.0458 and wR = 0.1041 for 2093 observed reflections (I>2σ(I)); Compound 2 crystallizes in monoclinic, space group P21/c with a = 11.4042(12), b = 10.9481(11), c = 11.6722(12)A, β= 99.948(2)o, V = 1435.4(3)A3, Z = 2, Dc = 2.794 g/cm3, Mr = 1207.80,μ(MoKα) = 3.223 mm-1, F(000) = 1160, the final R = 0.0544 and wR = 0.1066 for 1906 observed reflections (I > 2σ(I)). Both compounds 1 and 2 adopt the Anderson structure, in which the anion is of centrosymmetry and formed by six octahedral edge-sharing MoO6 units surrounding the central MO6 (M = Mn or Co) octahedron. 相似文献
9.
A. S. Antsyshkina G. G. Sadikov T. B. Kuvshinova V. M. Skorikov V. S. Sergienko 《Russian Journal of Inorganic Chemistry》2006,51(3):374-385
A novel compound, KBi(C6H4O7) · 3.5H2O (I), has been synthesized in the Bi(NO3)2-K3(HCit) system (HCit3? is an anion of citric acid C6H8O7) at a component ratio (n) of 8 in a water-glycerol mixture, and its crystal structure has been determined. The crystals are unstable in air. The crystals are triclinic: a = 7.462 Å, b = 10.064 Å, c = 17.582 Å, α = 100.27°, β = 99.31°, γ = 105.48°, V = 1221.2 Å3, Z = 2, space group $P\bar 1$ . In the structure of I, asymmetric binuclear fragments [Bi2(Cit4?)2(H2O)2]2? are linked through inversion centers into polymeric chain anions. Ions K+ and crystal water molecules are arranged in channels between the chains. The Bi(1)...Bi(2) distances in the binuclear fragment are 4.62 Å, and the Bi(1)...Bi(1) and Bi(2)...Bi(2) distances between bismuth atoms in the chain are 5.83 and 5.95 Å, respectively. The chains are linked through bridging oxygen atoms of the ligands Cit to form layers. In the centrosymmetric four-membered chelate ring Bi2O2 formed through Bi-O(Cit) bonds, the distances Bi(1)-Bi(1) are equal to 4.55 Å, and Bi(1)-O are 2.66 and 2.84 Å. The Bi-O bond lengths in I are in the range 2.12–3.16 Å. The Cit ligands act as hexadentate chelating/bridging ligands. 相似文献
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Reaction of cobalt carbonate, pivalic acid and quinoline in a refluxing ethanol solvent yielded the dicobalt(Ⅱ) compound, Co2(O2CCMe3)4(C9H7N)2 (1) (C9H7N is quinoline), which has been characterised by elemental analysis, IR and X-ray diffraction method. Crystallographic data: monoclinic, P21/a, a=9.341(2), b=18.591(4), c=11.822(2)(), β=97.71(2), V=2034(1)()3, Z=2, Mr=918.19, Dc=1.27 g/cm-3, F(000)=820, μ(MoKα)=8.60 cm-1, T=293K, final R=0.049, Rw=0.060 for 2715 observed reflections with I>3.0 σ(I). The centrosymmetric molecule comprises a pair of cobalt(Ⅱ) atoms connected by four pivalate ligands in syn-syn bridging modes. Square pyramidal five-coordination of cobalt(Ⅱ) is further completed by a quimoline molecule. The CoⅡ-CoⅡ distance is 2.784(1)(). 相似文献
11.
Wei Rong HAN* Yu Xiang OU Jin Quan LIU Jian Long WANG School of Materials Science Engineering Beijing Institute of Technology Beijing 《中国化学快报》2004,(10)
The hexanitro hexaaza isowurtzitane (HNIW) (2, 4, 6, 8, 10, 12-hexanitro-2, 4, 6, 8, 10,12-hexaazatetracyclo-[5.5.0.05,9.03,11]-dodecane), more commonly called CL-20, be-longs to the family of high energetic dense caged nitramines. It was first synthesized byA.T.Nielsen in 19871. HNIW is superior to HMX with respect to density, velocity,detonation pressure and enthalpy of formation. Based on cylinder expansion andtantalume plate acceleration experiments, the HNIW was found to be appr… 相似文献
12.
WEI Chun-Xia CHEN Jian-Xin ZHANG Zhi-Chun LAN Ting-Yan HUANG Yuan-Biao LI Zhong-Shui ZHANG Wen-Jie 《结构化学》2006,25(9)
A new molybdenum phosphate [Zn(Mov6P4O31H10)2(C4H14N3)2]·2C4H13N3·8H2O 1 (C4H13N3 = diethylenetriamine) has been synthesized under hydrothermal condition. Single-crystal X-ray diffraction reveals that compound 1 crystallizes in the monoclinic, space group P21/n, a =13.1679(3), b = 22.1240(6), c = 13.6146(3) (A), β = 103.4847(7)°, V = 3856.95(16) (A)3,C16H90N12O70P8ZnMo12, Mr = 3035.41, Z = 2, Dc = 2.614 g/cm3, μ = 2.483 mm-1, F(000) = 2968, S = 1.014, the final R = 0.0196 and wR = 0.0506 for 7486 observed reflections (I > 2σ(Ⅰ)). Compound 1 consists of two identical rings of six edge-sharing MoO6 octahedra interconnected by one ZnO6 octahedron, whereas the PO4 tetrahedra which share their apices with the MoO6 octahedra are only located on one side of each Mo6 ring. The 2-charge of polyanion [Zn(Mov6P4O31H10)2]2- unit is compensated in the crystal by two mono-protonated diethylenetriamines (C4H14N3)+. By hydrogen bonding interactions the polyanion of compound 1 is interconnected to form pseudo three dimensional molybdophosphate. Other characterizations by elemental analyses, IR spectrum and fluorescent spectrum are also described. 相似文献
13.
The title compound [H4As8V14O42(H2O)]·6H2O 1 has been synthesized and characterized by elemental analysis, IR, and single-crystal X-ray diffraction analysis. It crystallizes in trigonal, space group R3c with a = b = 36.447(6), c = 21.485(5) (A), V = 24717(8) (A)3, Z = 18, Mr = 2114.66, Dc = 2.557g/cm3, F(000) = 17928, μ = 7.149 mm-1, R = 0.0792 and wR = 0.1265. The [H4As8V14O42- (H2O)] cluster consists of fourteen VO5 square pyramids linked by four As2O5 handle-like units. 相似文献
14.
The novel mixed-ligand neutral compound [Mo3O4(C2O4)2·bipy(H2O)3]·EtOH·2H2O (bipy = 2,2'-bipyridine) has been prepared by the reaction of oxalic acid elution of Mo(Ⅳ) and bipy, and characterized by single-crystal X-ray diffraction analysis and IR. The crystal is of triclinic, space groups P1 with a = 9.5520(2), b = 10.3730(1), c = 13.5722(2) (A), α = 74.940(12), β = 80.772(14), γ = 69.898(11)°, V = 1215.73(11) (A)3, Z = 2, C16H24Mo3N2O18, Mr = 820.19, Dc = 2.241 g/cm3, μ = 1.616 mm-1, F(000) = 808, T= 293(2) K, the final R = 0.0424 and wR = 0.0939 for 4119 observed reflections with Ⅰ> 2σ(Ⅰ). The trinuclear unit is coordinated by mixed ligands of oxalate and bipy. The intermolecular hydrogen bonding interactions among adjacent [Mo3O4(C2O4)2·bipy(H2O)3] extend the compound into a therr-dimensional supramolecular framework. The uncoordinated water molecules and ethal molecules act as space-fillers and consolidate the whole architecture through hydrogen bonding interactions. 相似文献
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SynthesisandCrystalStructureofMnSm_4(SiO_4)_3O¥ChiLi-Sheng;DengShui-Quan;ZhuangHong-Hui;HuangJin-Shun;(StateHeylaboratoryofStr?.. 相似文献
16.
A new mononuclear Co(Ⅱ) complex, [Co(hmz)2(H2O)4]·2H2O, has been synthesized by the reaction of Co(CH3COO)2·4H2O with 1-(4-hydroxyphenyl)-5-mercaptotetrazole (Hhmz). It crystallizes in the monoclinic system, space group P21/n with a = 13.502(5), b = 6.718(3), c = 13.972(6) (A), β = 117.532(4)°, V = 1123.9(8) (A)3, Z = 2, M r = 553.45, F(000) = 570, Dc = 1.635 g/cm3, μ = 1.008 mm-1, the final R = 0.0272 and wR = 0.0684 for 2194 observed reflections (Ⅰ> 2σ(Ⅰ)). The Co(Ⅱ) is six-coordinated by two nitrogen atoms from two hmz-1 ligands and four water molecules, forming an octahedral geometry. The intermolecular hydrogen bonding and offset-panel π-π stacking interactions between the adjacent molecules extend the compound into a three- dimensional supramolecular framework. The title compound emits strong blue fluorescent light (λem(max) = 427 nm) at room temperature and is red-shifted compared with free ligand Hhmz (λem(max) = 342 nm). 相似文献
17.
A novel coordination polymer [{Cd(hmbdc)(H2O)3}·2H2O]n (hmbdc=5-hydroxy- isophthalic acid) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c, with a=9.599(3), b=18.699(5), c=7.557(2) (A), β= 108.198(4)°, V=1288.6(6) (A)3, Z=4, Mr=382.60, Dc=1.972 g/cm3, F(000)=760, μ=1.740, the final R=0.0555 and wR=0.0995 for 1732 observed reflections with Ⅰ > 2σ(Ⅰ). The structural analysis shows that the intermolecular hydrogen bonds and π-π interactions result in a three-dimensional supramolecular framework. 相似文献
18.
SUN Qiao-Zhena ZHANG Han-Huia b② HUANG Chang-Canga b WANG Yong-Jinga SUN Rui-Qinga CHEN Yi-Pinga CAO Yan-Ninga GUO Wen-Juna a 《结构化学》2004,(9)
1 INTRODUCTION The open-framework inorganic materials have been synthesized before the early 1980s[1]. Parti- cularly, metal phosphates have been investigated widely during the past few years[2, 3]. In recent years, considerable efforts have been devote… 相似文献
19.
Under hydrothermal condition, the reaction of 2-naphthoxyacetic acid with ZnCl2 and 4,4'-bipyridine (4,4'-bipy)has afforded a new Zn(Ⅱ) compound,[Zn(C12H9O3)2(C10H8N2)]n·nH2O1, which was structurally characterized by single-crystal X-ray diffraction analysis. The crystal is of monoclinic, space group P21/c with a = 7.7335(2), b = 19.3834(4), c = 20.1707(4) (A), β =104.9830(10)°, V = 2920.82(11) A3, C34H28ZnN2O7, Mr = 641.95, Z = 4, Dc = 1.460 g/cm3, μ = 0.895 mm-1, F(000) = 1328, R = 0.0406 and wR = 0.0876 for 4417 observed reflections (Ⅰ>2σ(Ⅰ)). Complex 1 consists of one-dimensional zigzag chains deriving from Zn(C12H9O3)2 units linked by 4,4'-bipy ligands, and lattice water molecules decorate between the chains. Non-covalent interactions, such as hydrogen-bonding and aromatic π-π interactions, lead to the formation of a 3D network structure. The thermogravimetric analysis (TGA) and luminescent property for 1 have also been studied in this paper. 相似文献
20.
《European Journal of Solid State and Inorganic Chemistry #》1998,35(10-11):699-706
The bis(cyclopropylammonium)dihydrogenodiphosphate monohydrate is a new diphosphate associated with the organic molecule C3H5NH2. We report the chemical preparation and the crystal structure of this organic cation diphosphate. (C3H5NH3)2H2P2O7.H2O is orthorhombic (S.G. : P212121), with Z = 4 and the following unit-cell parameters : a = 4.828(1) Å, b = 11.011(1) Å, c = 25.645(2) Å. The P2O7 groups and H2O water molecules form a succession of bidimensional layers perpendicular to the c axis. The organic cations ensure the three-dimensional cohesion by NH-O hydrogen bonds. 相似文献