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1.
L. B. Serezhkina E. V. Peresypkina N. A. Neklyudova A. V. Virovets V. N. Serezhkin 《Crystallography Reports》2013,58(2):275-279
Compound (CN3H6)2[(UO2)2(C2O4)(CH3COO)4] is synthesized and characterized by IR spectroscopy and single-crystal X-ray diffraction [a = 8.5264(2) Å, b = 13.8438(4) Å, c = 10.7284(2) Å, β = 103.543(1)°, space group P21/n, Z = 2, and R = 0.0258]. The main structural units of the crystals are binuclear [(UO2)2C2O4(CH3COO)4]2? groups, which belong to the A 2 K 02 B 4 01 crystal chemical group of uranyl complexes (A = UO 2 2+ , K 02 = C2O 4 2? , and B 01 = CH3COO?). The coordination polyhedron of the uranium atom is the UO8 hexagonal bipyramid with the oxygen atoms of the uranyl ion at the axial positions. Uranium-containing groups and guanidinium cations are connected by electrostatic interactions and by the hydrogen bond system, which involves hydrogen atoms of guanidinium cations and oxygen atoms of oxalate and acetate anions. The results of the spectroscopic study of the compound agree with the X-ray diffraction data. 相似文献
2.
V. N. Serezhkin E. V. Peresypkina M. O. Karasev A. V. Virovets L. B. Serezhkina 《Crystallography Reports》2014,59(2):196-201
Compounds (CN3H6)2[UO2(OH)2(NCS)]NO3 (I) and β-Cs3[UO2(NCS)5] (II) are synthesized and studied by IR spectroscopy and single-crystal X-ray diffraction. I and II crystallize in the orthorhombic system. For I, a = 12.2015(13) Å, b = 7.3295(8) Å, c = 16.310(2) Å, space group Pnma, Z = 4, and R = 0.0327; for II, a = 21.7891(6) Å, b = 13.5120(3) Å, c = 6.8522(2) Å, space group Pnma, Z = 4, and R = 0.0268. In structure I, complex groups form infinite chains [UO2(OH)2(NCS)] n n? belonging to the AM 2 2 M 1 crystal chemical group of uranyl complexes (A = UO 2 2+ , M 2 = OH?, and M 1 = NCS?). The main structural elements of crystals II are mononuclear [UO2(NCS)5]3? groups belonging to the AM 5 1 group of uranyl complexes (A = UO 2 2+ and M 1 = NCS?). In I and II, uranium-containing complexes are connected with outer-sphere cations by electrostatic interactions, and in I a system of hydrogen bonds also contributes to their binding. Specific features of the packing of complex [UO2(NCS)5]3? groups in the structures of two modifications of Cs3[UO2(NCS)5] are discussed. 相似文献
3.
The crystal structures of Cs[CuB10H10] (I) and (CH3)2NH2[CuB10H10] (II) are studied (R = 0.0398 and 0.0510 for 1225 and 2728 observed reflections in I and II, respectively). Crystals I and II are built of [(CuB10H10)?]∞ anionic chains and cations. The distorted tetrahedral coordination of the Cu+ ions is formed by four pairs of B-H atoms from two polyhedral anions. The Cu-B bond lengths in I and II are 2.159–2.287(6) and 2.130–2.285(9) Å, respectively. The coordination of the Cu+ ions in II includes only edges between apical and equatorial vertices of the anions. In I, both the edges of the apical belt and those between two equatorial vertices are involved in coordination. The ability of the B10H 10 2? anion to coordinate metals by the equatorial edge is established for the first time. 相似文献
4.
Single crystals of acid salt hydrates M I{M II[H(XO4)2](H2O)2}, where M I, M II, and X are K, Zn, and S (I); K, Mn, and S (II); Cs, Mn, and S (III); or K, Mn, and Se (IV), respectively, were synthesized and studied by X-ray diffraction analysis. Compounds I–IV (space group $P\bar 1$ ) are isostructural to each other and to hydrate KMg[H(SO4)2](H2O)2 (V) studied earlier. Structures I–V, especially, the M I-O, M II-O, and X-O distances and the O?H?O (2.44–2.48 Å) and Ow-H?O (2.70–2.81 Å) hydrogen bonds, are discussed. 相似文献
5.
Rajnikant V. K. Gupta Dinesh A. Kumar M. B. Deshmukh D. K. Salunke A. R. Mulik B. Varghese 《Crystallography Reports》2004,49(3):427-429
The crystal structures of 1,4-benzothiazin-2(1H)one (C8H7SNO) (I) and 3-methyl-1,4-benzothiazin-2(1H)one (C9H9SNO) (II) have been determined by X-ray diffraction methods. I crystallizes in the monoclinic system with space group P21/n, while II crystallizes in triclinic with space group P $\bar 1$ . The molecular features in both the structures are almost similar; however, there exists an intermolecular interaction in (II) that could be due to the methyl group. 相似文献
6.
Crystalline hydrogen selenate-phosphates M 2H3(SeO4)(PO4) [M = Rb (I) or K (II)] and M 4H5(SeO4)3(PO4) [M = K (III) or Na (IV)] were obtained by reactions of Rb, K, and Na carbonates with mixtures of selenic and phosphoric acid solutions. The X-ray structure study of single crystals revealed that I and II are isostructural (sp. gr. Pn). In these structures, SeO4 and H3PO4 tetrahedra are linked by hydrogen bonds to form corrugated layers. Structures III and IV (sp. gr. $P\bar 1$ ) have similar arrangements of non-hydrogen atoms but different hydrogen-bond systems. In III = K4(HSeO4)2{H[H(Se,P)O4]2}, the HSeO4 groups branch from the infinite anionic {H[H(Se,P)O4]2} chains. In IV = Na4[H(SeO4)2]{H[H1.5(Se, P)O4]2}, the anionic {H[H1.5(Se,P)O4]2} chains are crosslinked by hydrogen bonds formed by the [H(SeO4)2] dimers. 相似文献
7.
G. G. Sadikov A. S. Antsyshkina I. A. Kuznetsova M. N. Rodnikova 《Crystallography Reports》2006,51(1):47-52
Two crystalline modifications (I and II) of the phenanthroline complex of europium nitrate with the same chemical composition, Eu(NO3)3(Phen)2, are synthesized under different conditions by varying the solvents, temperatures, and crystallization rates. The crystal structures of these modifications are determined using X-ray diffraction. Crystalline modifications I and II differ in the unit cell parameters and the positions of the complexes in the unit cell. The geometric characteristics of the complexes in the structures of compounds I and II differ insignificantly. Crystals of compound I belong to the isostructural family Ln(NO3)3(Phen)2 (Ln = La-Lu). Crystals of compound II (new phase) are studied for the first time. Crystals of I and II are monoclinic, space group C2/c, and Z = 4. The unit cell parameters are as follows: a = 11.1555(10) Å, b = 17.9698(10) Å, c = 13.0569(10) Å, β = 100.507(10)°, and V = 2572.1(3) Å3 for modification I and a = 9.5153(10) Å, b = 15.4546(10) Å, c = 17.1763(10) Å, β = 93.451(10)°, and V = 2521.3(3) Å3 for modification II. The difference between the molecular complexes in the structures of compounds I and II is revealed by the superposition method. Complexes II are arranged along the C 2 axis and are statistically disordered with respect to this axis. 相似文献
8.
G. G. Sadikov A. S. Antsyshkina I. A. Kuznetsova M. N. Rodnikova 《Crystallography Reports》2006,51(2):271-277
Two crystalline modifications (I and II) of the phenanthroline complex of erbium nitrate with the same chemical composition, Er(NO3)3(Phen)2, are synthesized by a procedure similar to that used for preparing the phenanthroline complexes of europium nitrate. The crystal structures of these modifications are determined using X-ray diffraction. Crystals of compound I belong to the isostructural family Ln(NO3)3(Phen)2 (Ln = La-Lu). Crystals of compound II are isostructural to those of modification II (new phase) of the Eu(NO3)3(Phen)2 compound. Crystals of I and II are monoclinic, space group C2/c, and Z = 4. The unit cell parameters are as follows: a = 11.126 Å, b = 17.815 Å, c = 12.976 Å, β = 100.45°, and V = 2529 Å3 for modification I and a = 9.459 Å, b = 15.463 Å, c = 17.076 Å, β = 93.52°, and V = 2493 Å3 for modification II. The molecular complexes in the structures of compounds I and II are nearly identical. The mean lengths of the Er-N and Er-O bonds are equal to 2.500 and 2.466 Å in compound I and 2.508 and 2.457 Å in compound II, respectively. The difference between the structures of compounds I and II is associated with the difference between intermolecular interactions in the unit cell. 相似文献
9.
A. P. Korobko I. V. Levakova S. V. Krasheninnikov A. I. Stash N. A. Kon’kova V. V. Kuz’min N. V. Kozlova T. A. Korobko 《Crystallography Reports》2002,47(1):58-64
The para and ortho isomers of 3,5-dinitro-(4-acetylphenyl)aminobenzoyl (p-bromophenyl)amide (I and II, respectively) are synthesized, and their physicochemical properties and structure are investigated. The para isomer I has a higher melting temperature and is less soluble in organic solvents as compared to the ortho isomer II. The electronic absorption spectra indicate that absorption for molecule I occurs at longer wavelengths than for molecule II. A correlation between the physicochemical properties and the crystal structures of compounds I and II is revealed. Crystals I · 0.5C6H6 are triclinic; the unit cell parameters are a = 11.760(2) Å, b = 13.958(3) Å, c = 15.012(3) Å, α = 108.01(2)°, β = 103.95(1)°, γ = 92.00(2)°, V = 2258.3(8) Å3, space group $P\bar 1$ , and Z = 4. Crystals II are monoclinic; the unit cell parameters are a = 9.302(2) Å, b = 16.380(3) Å, c = 13.480(3) Å, β = 100.09(3)°, V = 2022.1(7) Å3, space group P21/c, and Z = 4. Structures I · 0.5C6H6 and II are characterized by intramolecular and intermolecular hydrogen bonds. 相似文献
10.
-The crystal structures of mixed coordination compounds, Cu(2)Gly(D-Ser)(L-Ser)2(I) and Cu(2)Gly 3(L-Ser)(II), which contain the amino acid residues of glycine (Gly) and serine (Ser) in the 1: 3 and 3: 1 ratio, respectively, are studied by electron diffraction. Crystals I and II are triclinic, Z = 1, and space group P1. For I, a = 8.96(2) Å, b = 9.66(2) Å, c = 5.07(2) Å, α = β = 90°, and γ = 92.8(3)°. For II, a = 8.37(2) Å, b = 9.65(2) Å, c = 5.06(2) Å, α = β = 90°, and γ = 92.8(3)°. Compounds I and II have layered structures that are based on the CuGly(L-Ser) fragment. Structures I and II differ mainly in their interlayer spacing and configuration of the interlayer space. 相似文献
11.
Hydrogen sulfate hydrates K4{M II[H(SO4)2]2(H2O)2}, where M II = Mn or Zn, are synthesized, and their single-crystal structures are determined by X-ray diffraction. The structural units of the orthorhombic crystals (space group Pccn) are potassium and M II cations, SO 4 2? and HSO 4 ? anions, and water molecules. Strong (2.52 Å) and moderate-in-strength (2.71–2.75 Å) hydrogen bonds link the anions and water molecules into hexamers. The M II cations, which have the octahedral environment (Mn-O, 2.14–2.19 Å and Zn-O, 2.07–2.11 Å), link the hexamers into flat layers. The structures of bimetallic hydrogen chalcogenate hydrates with different compositions are compared. 相似文献
12.
Ya. A. Medvedkov L. B. Serezhkina M. S. Grigor’ev V. N. Serezhkin 《Crystallography Reports》2016,61(3):383-390
Two new malonate-containing uranyl complexes with carbamide of the formulas [UO2(C3H2O4)(Urea)2] (I) and [UO2(C3H2O4)(Urea)3] (II), where Urea is carbamide, and one uranyl oxalate complex of the formula [UO2(C2O4)(Urea)3] (III) were synthesized, and their crystals were studied by X-ray diffraction. The main structural units in crystals I are the electroneutral chains [UO2(C3H2O4)(Urea)2]∞ belonging to the crystal-chemical group AT11M21 (A = UO22+, T11 = C3H2O42-, M1 = Urea) of uranyl complexes. Crystals II and III are composed of the molecular complexes [UO2(L)(Urea)3], where L = C3H2O42- or C2O42-, belonging to the crystal-chemical group AB01M31 (A = UO22+, B01 = C3H2O42- or C2O42-, M1 = Urea). The characteristic features of the packing of the uranium-containing complexes are discussed in terms of molecular Voronoi–Dirichlet polyhedra. The effect of the Urea: U ratio on the structure of uranium-containing structural units is considered. 相似文献
13.
The title compound N-(4-acetyl-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide (III) was obtained from the reaction of 2-(propan-2-ylidene)hydrazinecarbothioamide (II) with acetic anhydride instead of formation of the desired thiosemcarbazide derivative of Meldrum acid. The structures of II and III were established by elemental analysis, IR, NMR, Mass and X-ray crystallographic studies. II crystallizes in triclinic system, sp. gr. $P - \bar 1$ Z = 2; III crystallizes in the monoclinic system, sp. gr. P21/c, Z = 8. Density functional theory (DFT) calculations have been carried out for III. 1H and 13C NMR of III has been calculated and correlated with experimental results. 相似文献
14.
Simon G. Bott Trinidad Muñoz Jr. Michael G. Richmond 《Journal of chemical crystallography》2003,33(7):549-556
The benzylidyne-capped cluster PhCCo3(CO)9 (1) reacts with the diphosphine ligand 2,3-bis(diphenylphosphino)maleic acid-thioanhydride (bmata) to afford ultimately the new cluster ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ (3) in low yield under thermolysis conditions or by Me3NO activation of PhCCo3(CO)9. The intermediate cluster compound PhCCo3(CO)7(bmata) (2) has been confirmed by IR spectroscopy and is shown to give ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ upon heating. Cluster 3 has been isolated and characterized in solution by IR and 31P NMR spectroscopies, and the solid-state structure of 3 was established by X-ray diffraction analysis. ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - C(Ph)}}{\text{(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ crystallizes in the triclinic space group P ${\bar 1}$ , a = 11.6053(8) Å, b = 11.8438(8) Å, c = 15.099(1) Å, α = 105.169(5)○, β = 90.530(5)○, γ = 104.976(6)○, V = 1928.5(2) Å3, Z = 2, and d calc = 1.578; R = 0.0442, R w = 0.481 for 2591 observed reflections with I > 3σ (I). The cyclic voltammetric properties of 3 have been investigated and are contrasted with the related bma-derived cluster ${\text{Co}}_{\text{3}} ({\text{CO)}}_{\text{6}} [\mu _2 ,\eta ^2 ,\eta ^1 {\text{ - }}{\text{(O)OC(O)](}}\mu _2 {\text{ - PPh}}_{\text{2}} )$ . 相似文献
15.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets D. V. Pushkin A. G. Verevkin 《Crystallography Reports》2010,55(3):381-385
The synthesis and single-crystal X-ray diffraction study of Cs[UO2(SeO4)(OH)] · 1.5H2O (I) and Cs[UO2(SeO4)(OH)] · H2O (II) are performed. Compound I crystallizes in the monoclinic crystal system, a = 7.2142(2) Å, b = 14.4942(4) Å, c = 8.9270(3) Å, β = 112.706(1)°, space group P21/m, Z = 4, and R = 0.0222. Compound II is monoclinic, a = 8.4549(2) Å, b = 11.5358(3) Å, c = 9.5565(2) Å, β = 113.273(1)°, space group P21/c, Z = 4, and R = 0.0219. The main structural units of crystals I and II are [UO2(SeO4)(OH)]? layers which belong to the AT 3 M 2 crystal chemical group of uranyl complexes (A = UO 2 2+ , T 3 = SeO4 2?, and M 2 = OH?). In structure I, johannite-like layers are found. Structure II is a topological isomer of I. The two structures differ in the number of U(VI) atoms bound to the central atom by all bridging ligands. 相似文献
16.
L. B. Serezhkina A. V. Vologzhanina S. A. Novikov A. A. Korlyukov V. N. Serezhkin 《Crystallography Reports》2011,56(2):233-237
Crystals of UO2CrO4(C5NH5COO)2(H2O)] · 2H2O are synthesized and their structure is studied by X-ray diffraction. The compound crystallizes in the triclinic crystal system. The unit cell parameters are as follows: a = 7.0834(10) Å, b = 10.6358(14) Å, c = 12.9539(17) Å, α = 75.096(2)°, β = 74.490(2)°, and γ = 80.657(2)°; V = 904.1(2) Å3, space group P \(\bar 1\), Z = 2, and R = 0.026. The structure is built of [UO2CrO4(C5NH5COO)2(H2O)]2 centrosymmetric dimers, which are linked into a framework by a system of hydrogen bonds involving inner-sphere and outer-sphere water molecules. The coordination number of the U(VI) atom is seven, and the coordination polyhedron is a pentagonal bipyramid with the oxygen atoms of the uranyl group, two chromate groups, two molecules of isonicotinic acid, and a water molecule at the vertices. The crystal chemical formula of the [UO2CrO4(C5NH5COO)2(H2O)]2 dimer is represented as AB 2 M 3 1 , where AB 2 M 3 1 , where A = UO 2 2+ , B 2 = CrO 4 2? , and M 1 = = C5NH4COOH and H2O. 相似文献
17.
V. I. Pet’kov A. I. Orlova G. I. Dorokhova Ya. V. Fedotova 《Crystallography Reports》2000,45(1):30-34
Double zirconium and 3d-transition metal phosphates of the compositions M 0.5Zr2(PO4)3[M = Mn (I), Co (II), Ni (III), Cu (IV), Zn (V)] have been synthesized and the types of their structures have been refined. Compounds I, II, III, IV, and V are all monoclinic (sp. gr. P21/n, Z = 4) and have the unit cell parameters a = 12.390(3), 12.389(3), 12.385(3), 12.389(3), 12.389(2) Å; b = 8.931(4), 8.928(3), 8.924(4), 8.925(4), 8.929(3) Å; c = 8.843(3), 8.840(2), 8.840(3), 8.841(3), 8.842(2) Å, β = 90.55(1), 90.54(1), 90.53(1), 90.53(1), 90.54(1)°; V = 978.5, 977.7, 977.0, 977.4, 978.1 Å3, respectively. All the structures have the {[Zr2(PO4)3]?}3∞-type frameworks. The crystallographic data for 3d-transition and alkali earth metal phosphates described by the general formula M 0.5Zr2(PO4)3 are compared. 相似文献
18.
A combinatorial-topological analysis of the La3Ga[6]Ga 4 [4] Ge[4]O14 and La3Ge[6]Ge 2 [5] Ge 2 [4] Ga[4]O16 gallogermanates, which have MT and MPT microporous frameworks composed of M octahedra (GeO6, GaO6), T tetrahedra (GeO4, GaO4), and P pyramids (GeO5), is performed using the method of coordination sequences with the TOPOS 3.2 program package. It is established that the La3Ga[6]Ga 4 [4] Ge[4]O14 gallogermanate is characterized by a crystal-forming net 6 6 6 (of the graphite type). A new type of the binodal net 6 10 1 0 + 6 10 (2: 1) is revealed in the La3Ge[6]Ge 2 [5] Ge 2 [4] Ga[4]O16 gallogermanate. The cyclic cluster precursors composed of six polyhedra with a lanthanum template atom at the center of the LaMT 5 and LaMP 3 T 3 clusters are identified by the two-color decomposition of the nets in the structures of the La3Ga[6]Ga 4 [4] Ge[4]O14 and La3Ge[6]Ge 2 [5] Ge 2 [4] Ga[4]O16 gallogermanates. The coordination numbers of the cluster precursors in these structures are found to be equal to 6 and 4 for two-dimensional nets and 8 and 6 for three-dimensional nets, respectively. 相似文献
19.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets V. V. Klepov 《Crystallography Reports》2010,55(2):221-223
A new compound (Rb0.50Ba0.25)[UO2(CH3COO)3] is synthesized and its crystal structure is studied by X-ray diffraction. The compound crystallizes in the form of yellow plates belonging to the cubic crystal system. The unit cell parameter a = 17.0367(1) Å, V = 4944.89(5) Å3, space group I \(\bar 4\)3d, Z = 16, and R = 0.0182. The coordination polyhedron of the uranium atom is a hexagonal bipyramid with oxygen atoms of three acetate groups and the uranyl group in the vertices. The crystal chemical formula of the uranium-containing group is AB 3 01 (A = UO 2 2+ , B 01 = CH3COO?). The oxygen atoms of the acetate groups that enter the coordination polyhedron of uranium are bound to barium and rubidium atoms. 相似文献
20.
L. B. Serezhkina A. V. Vologzhanina A. V. Marukhnov D. V. Pushkin V. N. Serezhkin 《Crystallography Reports》2009,54(5):852-857
Single crystals of the compound Na3(H3O)[UO2(SeO3)2]2 · H2O (I) have been synthesized, and their structure has been investigated using X-ray diffraction. Compound I crystallizes in the triclinic system with the unit cell parameters a = 9.543(6)Å, b = 9.602(7)Å, c = 11.742(8)Å, α = 66.693(16)°, β = 84.10(2)°, γ = 63.686(14)°, space group P \(\bar 1\), Z = 2, and R = 0.0734. The uranium-containing structural units of the crystals are [UO2(SeO3)2]2? chains, which belong to the crystal-chemical group AB 2 B 11 (A = UO 2 2+ , B 2 = SeO 3 2? , B 11 = SeO 3 2? ) of the uranyl complexes. The structures of the compounds containing the [UO2(SeO3)2]2? anionic complexes are compared. 相似文献