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1.
Crystal Structure of SrZn(OH)4 · H2O Colorless crystals of SrZn(OH)4 · H2O are obtained by electrochemical oxidation of Zn in a zinc/iron pair in an aqueous ammonia solution saturated with strontium hydroxide. The X-ray crystal structure determination was now successful including all hydrogen positions: P1 , Z = 2, a = 6.244(1) Å, b = 6.3000(8) Å, c = 7.701(1) Å, α = 90.59(1)°, β = 112.56(2)°, γ = 108.66(2)°, N(F ≥ 3σF) = 1967, N(Var.) = 84, R/Rw = 0.020/0.024. In SrZn(OH)4 · H2O Zn2+ is tetrahedrally coordinated by four OH? -ions while Sr2+ has 6 OH? and one H2O as neighbours. The polyhedra around Sr2+ are connected to chains which are linked three-dimensionally by isolated tetrahedra [Zn(OH)4]. Hydrogen bonds between H2O as donor and OH? are characterized by raman spectroscopy. 相似文献
2.
Salts of Halogenophosphoric Acids. XVII. Preparation and Crystal Structure of Copper(II) Monofluorophosphate Dihydrate CuPO3F · 2H2O Copper(II) monofluorophosphate dihydrate, CuPO3F · 2H2O 1 was obtained by the reaction of aqueous NH4HPO3F and acid (NH4)2PO3F solutions, respectively, using acetone or ethanol as precipitating agents. The thermal dehydration of 1 gives the water-free copper monofluorophosphate CuPO3F ( 2 ). 1 crystallizes in the monoclinic space group P21/c with a = 761,44, b = 780,97, c = 921,02 pm, β = 112,94° and Z = 4. 相似文献
3.
On the Existence of the Tetrahydrogenorthoperiodate Ion. The Crystal Structure of LiH4IO6 · H2O The crystal structure of LiH4IO6 · H2O has been determined (P1 ; a = 564.74(12), b = 574.41(13), c = 970.4(6) pm, α = 101.37(2), β = 96.37(2), γ = 114.72(2)°; Z = 2; 5 731 independent reflections; R = 0.038). All hydrogen-atoms were localized from difference fourier map and refined without applying constraints. Thus the existence of the tetrahydrogenorthoperiodate-ion in the solid state is proved, unambigously. The crystal structure is discussed and compared to other alkaliorthoperiodates. 相似文献
4.
On the Crystal Structure of Barium Acetylene Dicarboxylate Monohydrate – Ba[C2(COO)2] · H2O Ba[C2(COO)2] · H2O crystallizes in the monoclinic space group P21/a. The lattice constants are a = 753.4(2), b = 921.8(2), c = 881.8(2) pm and β = 102.00(2)°. The crystal structure is characterized by an intricate three-dimensional framework made up by Ba2+ and [C2(COO)2]2? ions. Ba2+ has coordination number 9 and is bound to two water molecules and seven oxygen atoms belonging to carboxylate groups of the dianion. The [C2(COO)2]2? ion does not merely act like a multiple monodentate ligand, but coordinates Ba2+ in a chelate-like manner as well. The carboxylate groups of the dianion are inclined to each other by 65°. 相似文献
5.
Alkaline Molybdotellurates: Preparation and Crystal Structures of Rb6[TeMo6O24] · 10H2O and Rb6[TeMo6O24] · Te(OH)6 · 6H2O Single crystals of Rb6[TeMo6O24] · 10 H2O and Rb6[TeMo6O24] · Te(OH)6 · 6 H2O, respectively, were grown from aqueous solution. Rb6[TeMo6O24] · 10 H2O possesses the space group P1 . The lattice dimensions are a = 963.40(13), b = 972.56(12), c = 1 056.18(13) pm, α = 97.556(10), β = 113.445(9), γ = 102.075(10)°; Z = 1, 2 860 reflections, 215 parameters refined, Rg = 0.0257. The centrosymmetrical [TeMo6O24]6? anions are stacked parallel to [010]. Rb(2) is coordinated with one exception by water molecules only. Folded chains consisting of [TeMo6O24]6? anions and Rb(2) coordination polyhedra which are linked to pairs represent the prominent structural feature. Rb6[TeMo6O24] · Te(OH)6 · 6 H2O crystallizes monoclinically in the space group C2/c with a = 1 886.4(3), b = 1 000.9(1), c = 2 126.5(3) pm, and β = 115.90(1)°; Z = 4, 3 206 reflections, 240 parameters refined, Rg = 0.0333. It is isostructural in high extent with (NH4)6[TeMo6O24] · Te(OH)6 · 7 H2O. Hydrogen bonds between Te(OH)6 molecules and [TeMo6O24]6? anions establish infinite strands. The [TeMo6O24]6? anions gather around Te(OH)6 providing channel-like voids extending parallel to [001]. 相似文献
6.
利用水热合成技术成功制备出一种新型多钒硼氧化合物, 用X射线单晶衍射分析技术对其晶体结构和分子结构进行了确定。结果表明在该化合物中多钒硼氧阴离子具有一个新颖的三明治结构。上下两个结构单元都是由六个VO5四角锥交替地通过顺式和反式共边的方式连接起来构成的一个钒氧三角形结构。中间的结构单元是由BO3平面三角形和BO4四面体以共角的方式相互连接形成的一个折叠型的B18O36(OH)6环。三明治结构中层与层之间通过桥氧相连。一个水分子处于它的核心位置上,与每个VO5四角锥中的钒原子都保持几乎相等的距离。该化合物及其晶体中存在着丰富的化学结构和成键信息,同时也有作为氧化还原反应催化剂的潜能。 相似文献
7.
Preparation,Crystal Structure and Vibrational Spectra of Ca2P2O6·2H2O and [Ca(H2O)3(H2P2O6)]·0.5(C12H24O6)·H2O 下载免费PDF全文
The calcium salts Ca2P2O6 · 2H2O ( 1 ) and [Ca(H2O)3(H2P2O6)] · 0.5(C12H24O6) · H2O ( 2 ) were prepared and structurally characterized by single‐crystal X‐ray diffraction. Compound 1 crystallizes in the orthorhombic space group Pbca and compound 2 in the monoclinic space group P21/n. The crystal structure of compound 1 consists of chains of edge‐sharing [CaO7] polyhedra linked by hypodiphosphate(IV) anions to form a three‐dimensional network. The crystal structure of compound 2 consists of alternated layers of crown ether and water molecules and respective ionic units. Within the layers of ionic units the Ca2+ cations are octahedrally coordinated by three monodentate dihydrogenhypodiphosphate(IV) anions and three water molecules. The IR/Raman spectra of the title compounds were recorded and interpreted, especially with respect to the [P2O6]4– and [H2P2O6]2– groups. The phase purity of 2 was verified by powder diffraction measurements. 相似文献
8.
H. R. Oswald 《Helvetica chimica acta》1969,52(8):2369-2380
The crystal structure of cadmium copper hydroxide nitrate, CdCu3 (OH)6 (NO3)2 · H2O, has been determined from three dimensional single crystal X-ray data. One single elementary cell of the compound has to be of triclinic symmetry, but as either the crystal is built up from such triclinic domains grown together regularly at angles of 120 degrees, or the nitrate groups of the whole crystal are distributed statistically over three possible orientations standing at 120 degree angles respectively to each other, the structure can also be described in the hexagonal system: a = 6.522 ± 0.005 Å, c = 7.012 ± 0.006 Å, space group D – P 3 m 1, cell content one formula unit. Mixed layers (00.1) of Cu and Cd atoms are embedded between layers consisting of the OH groups and one oxygen atom per nitrate group. The nitrate groups extend with their trigonal plane nearly perpendicular to the layers (00.1) and connect them by hydrogen bridges between the remaining two oxygen atoms and OH groups of the next layer. The Cd atoms are coordinated octahedrally by six equidistant OH groups, and the Cu atoms have a strongly distorted octahedral (4 + 2) coordination with four OH groups and two nitrate oxygens. Thermogravimetric measurements allowed to distinguish the crystal water molecule from variable amounts of excess water. The hydrogen bonds between OH groups and nitrate oxygen atoms and the deformation of the nitrate groups were confirmed by infrared spectra. 相似文献
9.
Synthesis and Crystal Structure of Sr2Zn(OH)6 and Ba2Zn(OH)6 Crystallization from supersaturated sodium hydroxozincate solutions by adding solutions of alkali earth metal hydroxides yields crystals of Sr2Zn(OH)6 and Ba2Zn(OH)6. The X-ray structure determination on these crystals was successful including all hydrogen positions: Sr2Zn(OH)6: P21/n, Z = 2, a = 5.794(1) Å, b = 6.160(1) Å, c = 8.141(1) Å, b = 91.23(1)°, N(F ³° 2σ F) = 1127, N(Var.) = 53, R1/wR2 = 0.047/0.081Ba2Zn(OH)6: P21/n, Z = 2, a = 6.043(1) Å, b = 6.336(1) Å, c = 8.451(2) Å, b = 91.23(2)°, N(F ° 2σ F) = 1669, N(Var.) = 54, R1/wR2 = 0.029/0.067. Sr2Zn(OH)6 and Ba2Zn(OH)6 crystallize isotypic in a distorted Li2O structure type. Sr2+ resp. Ba2+ form a cubic primitive arrangement. Distorted octahedra of OH– around Zn2+ fill therein alternating cubic gaps in an ordered way. 相似文献
10.
Synthesis and Crystal Structure of Cs8P8O24 · 8H2O Cs8P8O24 · 8H2O was obtained from Na8P8O24 · 6H2O by cation exchange. Crystal growth was achieved by applying gel techniques (agar agar). The crystal structure (P1 ; a = 766.6(8); b = 1 156.9(9); c = 1 163.4(9) pm; α = 100,2(1)°; β = 106.5(2)°; γ = 92.2(1)°; Z = 1; 4 099 unique diffractometer data; R = 0.051; R(w) = 0.037) contains cyclo-octaphosphate anions with point symmetry C2h. The cesium atoms are coordinated irregularily by eight and ten oxygen atoms, respectively. The threedimensional linkage of the P8O248?-rings is established via bonds to cesium atoms and hydrogen bonds Provided by H2O molecules. 相似文献
11.
The Crystal Structures of K8Ta6O19 · 16H2O and K7NaTa6O19 · 14H2O By alkaline digestion of Ta2O5 with p.a. KOH transparent single crystals of the composition K8Ta6O19 · 16H2O are formed. When technical grade KOH is used, the same kind of synthesis yields crystals of the composition K7NaTa6O19 · 14H2O. The latter compound has been given the formula K8Ta6O19 · 14H2O until now. In both cases the isopolyoxoanion [Ta6O19]8 consists of six TaO6-octahedra connected by edge sharing. This means that the heavy atom partial structure found by Lindquist et al. is confirmed. Additionally the complete structures including the atomic positions of the oxygen atoms of the polyanions as well as those of the cations and crystal water molecules (without hydrogen positions) are determined. 相似文献
12.
Preparation and Crystal Structure of Rb2Sn3S7 · 2 H2O and Rb4Sn2Se6 Rb2Sn3S7 · 2 H2O has been prepared by hydrothermal reaction of SnS2 and Rb2CO3 in an with H2S saturated aqueous solution at 190°C. The crystal lattice contains chain anions [Sn3S72?] which display both SnS4 tetrahedra and SnS6 octahedra. Methanolothermal reaction of SnCl2 with Se and Rb2CO3 at 145°C leads to the formation of Rb4Sn2Se6 which contains edge-bridged bitetrahedral [Sn2Se6]4? anions. 相似文献
13.
Z. Zhang E. Suchanek D. Eßer H. D. Lutz D. Nikolova M. Maneva-Petrova 《无机化学与普通化学杂志》1996,622(5):845-852
NiH3IO6 · 6 H2O — Crystal Structures and Vibrational Spectra The crystal structure of NiH3IO6 · 6 H2O has been determined by X-ray single-crystal diffraction (Pc, Z = 2, a = 516.74(9), b = 981.5(2), c = 1052.5(2) pm, β = 116.496(8)°) on the basis of 4169 unique reflections (R = 1.96%). The structure is built up of distorted Ni(H2O)62+ and H3IO62? octahedra linked by hydrogen bonding. IR and Raman spectra of both the title compound and isostructural MgH3IO6 · 6 H2O as well as of deuterated specimens are given. There are up to 14 different OH(OD) modes in the spectra of isotopically dilute samples due to the 15 different hydrogen positions of the structure. The internal modes of the meridional H3IO62? ions (pseudo C2v symmetry) are discussed with respect to that double T-shaped entity, which gives rise to only two instead of 3I? O, I? O(H), and OH stretches in the IR and Raman spectra, i.e. the same as for facial (C3v) structured ions. 相似文献
14.
IntroductionThesynthesisandsorptionpropertiesofopenframe worksolidssuchaszeolites1andmetalmolybdenumphos phate2 ,3withlargecavitiesprovokedenormousinterestbe causeoftheirpotentialapplicationincatalysis .One ,two andthree dimensionalsolidcompoundsconsistingo… 相似文献
15.
16.
Li6[TeMo6O24] · 18 H2O is triclinic (space group P1 , a = 1 041.7(1), b = 1 058.6(1), c = 1 070.8(1) pm, α = 61.08(1), β = 60.44(1), γ = 73.95(1)°). Single crystal X-ray structure analysis (Z = 1, 295 K, 317 parameters, 3 973 reflections, Rg = 0.0250) revealed an infinite branched chain of edge-sharing Li coordination polyhedra to be the prominent structural feature. One of the four crystallographically independent Li+ is coordinated octahedrally. The coordination polyhedra of the remaining Li+ are distorted trigonal bipyramids. Only three unique oxygen atoms (O(9), O(10), O(12)) of the centrosymmetric [TeMo6O24]6? anion are bound to Li+. The further positions in the coordination spheres of the Li+ are occupied by water molecules. Intermolecular hydrogen bonds involve mainly oxygen atoms of the [TeMo6O24]6? anion as nearly equivalent proton acceptors without regard to their different bonding modes to Te and Mo, respectively. Li6[TeMo6O24] · Te(OH)6 · 18 H2O crystallizes monoclinically in space group P21/n with Z = 4, a = 994.1(3), b = 2 344.8(10), c = 1 764.9(4) pm, and β = 91.36(4)°. Single crystal structure analysis with least squares refinement of 627 parameters (5 900 reflections, 295 K) converged to Rg = 0.0324. There are six unique Li+ cations. The coordination polyhedra of Li(1), Li(2), Li(3), and Li(4) are linked by common edges to yield an eight membered centrosymmetric strand. The coordination polyhedra of the remaining two Li+ sites (Li(5), Li(6)) are connected to a dimeric unit via a common corner. All oxygen atoms of the Te(OH)6 molecule are involved in the coordination of Li+. However, only three oxygen atoms (O(13), O(18), O(23)) of the [TeMo6O24]6? anion which lacks crystallographic symmetry are involved in the coordination of Li+. The oxygen atoms of the anion act as proton acceptors in hydrogen bonds of predominantly medium strength. Te(OH)6 molecules and [TeMo6O24]6? anions connected by strong hydrogen bonds form an infinite chain. 相似文献
17.
Synthesis and Crystal Structure of Cobalt(II)-hexaoxodiphosphate(P? P)(4?)-dodecahydrate, Co2P2O6 · 12 H2O Co2P2O6 · 12H2O was obtained by cleavage and simultaneous oxidation of cyclo-hexaphosphate(III) in a solution of ethanol and aqueous ammonia. The crystal structure has been determined (1 898 independent diffractometer data): space group Pbam (No. 55), a = 6.710(2), b = 12.196(2), c = 10.073(3) Å, V = 825.3(1) Å3, Z = 2, R = 0.060. The P2O64? anions show site symmetry C2h and are connected to form chains via cobalt. Two cobalt ions together with two sets of four water molecules and two oxygen atoms of P2O64? form pairs of edge connected octahedra. The common edges are formed by the oxygen atoms of the P2O6 groups. 相似文献
18.
On Barium Hexahydroxoplatinate BaPt(OH)6 · H2O The crystal structure of BaPt(OH)6 · H2O, monoclinic, space group P21/m, a = 628.4, b = 624.6, c = 857.4 pm, β = 108.19°, Z = 2, contains octahedral Pt(OH)6 groups and ninefold-coordinated barium. The water molecules are not coordinated to metal atoms but connected with Pt(OH)6 groups only by very weak hydrogen bonds with oxygen-oxygen distances of 292—296 pm. The compound is dehydrated readily when dried gently. This explains contradictory evidence concerning its water content. 相似文献
19.
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
20.
Li2CrO4 · 2H2O: Unusual Hydrogen Bridge Bonding and Coordination for Oxygen of the Anions CrO42? The crystal structure of Li2CrO4 · 2H2O was solved including the positions of hydrogen by X-ray methods. Li2CrO4 · 2H2O: P212121, Z = 4, a = 5.503(1) Å, b = 7.733(2) Å, c = 11.987(2) Å, Z(Fo) with (Fo)2 ? 3σ(Fo)2 = 2284, Z (parameter) = 99, R/Rw = 0.025/0.029 LiCrO4 · 2H2O contains a locally bordered hydrogen bridge bonding system between water molecules as donors and two O of CrO42? as acceptors. This system connects anions in the direction [010]. It is noticeable that oxygen ligands of the anion CrO42? have strongly differing coordination. 相似文献