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1.
Frank Schaper Hans‐Herbert Brintzinger 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e78-e78
Bis(tetrahydroborato)[1,1,2,2‐tetramethyl‐1,2‐ethylenebis(η5‐cyclopentadienyl)]zirconium, (I), was synthesized by the reaction of the zirconocene dichloride with lithium tetrahydroborate. Crystals suitable for X‐ray structure analysis were obtained by recrystallization from toluene. The molecule adopts an appproximate C2v symmetry. Both tetrahydroborate ligands are η2‐coordinated and tilted by 18–19° out of the equatorial plane; the angle B1—Zr1—B2 is 104.7°. The cyclopentadienyl rings show a normal η5‐coordinaton, with a centroid–Zr–centroid angle of 124.3°. 相似文献
2.
Jacques Darriet Hamdi Ben Yahia Etienne Gaudin 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):i79-i80
Single crystals of sodium tetracalcium trivanadium dodecaoxide were prepared by melting a powder sample of NaCa4(VO4)3 at 1673 K, followed by slow cooling to room temperature. The compound crystallizes in the Pnma space group and is isostructural with the mineral silicocarnotite, Ca5(PO4)2SiO4. The structure is composed of isolated VO4 tetrahedra linked by sodium and calcium cations disordered over eight‐ and seven‐coordinated sites. 相似文献
3.
Harald Krautscheid Stefan Gerber 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):781-783
The anions of the title compounds contain [Ag(SCN)4] units, with the S atoms coordinating to Ag+ in a tetrahedral arrangement. Whereas in the isolated anions of tripotassium tetrathiocyanatoargentate(I), K3[Ag(SCN)4], (I), all SCN? groups are bonded as terminal ligands, in tetrapotassium di‐μ‐thiocyanato‐S:S‐bis[dithiocyanatoargentate(I)], K4[Ag2(SCN)6], (II), two AgS4 tetrahedra share one common edge. In poly[potassium [argentate(I)‐di‐μ‐thiocyanato‐S:S]], K[Ag(SCN)2], (III), edge‐ and vertex‐sharing of AgS4 tetrahedra results in infinite [Ag(SCN)2]? layers. 相似文献
4.
Zhan Yu Yan‐Wei Song Qian‐Feng Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):m214-m216
In the title compound, catena‐poly[[trisilver(I)‐tri‐μ3‐N,N‐diethyldithiocarbamato‐3′κS:1κS′:2κS;1κS:2κS′:3κS;2κS:3κ2S,S′:1′κS′], [Ag3(C5H10NS2)3]n, the trigonally and tetrahedrally coordinated Ag atoms are μ3‐bridged by κ3‐ and κ4‐S2CNEt2 ligands to form a ribbon structure along the c axis. There is a twofold axis parallel to the b axis and passing through the tetrahedrally coordinated Ag atom. The S2CNEt2 ligands coordinate the Ag atoms in η1,η2‐ and η2,η2‐fashions, depending on the bridging S atoms. The distances between the trigonal Ag and S atoms are 2.4915 (11)–2.6205 (11) Å, while those between the tetrahedral Ag and S atoms are 2.5457 (11) and 2.7145 (10) Å. The shortest Ag⋯Ag distance between trigonal Ag atoms is 2.8336 (7) Å, which indicates a weak Ag⋯Ag interaction, whereas the shortest distance between trigonal and tetrahedral Ag atoms is 3.463 (6) Å, which is considered as non‐bonding. 相似文献
5.
Cara L. Nygren M. E. T. Bragg John F. C. Turner 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m4-m6
In the title compound, [ZrCl2(C14H12N)2(C4H8O)2]·1.5C6H6, the Zr atom is pseudo‐octahedral, with two Cl atoms in trans positions and two tetrahydrofuran molecules in cis positions. The two 3,6‐dimethylcarbazolyl ligands are in cis positions and are canted with respect to one another. The two Zr—N distances are 2.1148 (18) and 2.1236 (18) Å, and the N—Zr—N angle is 95.08 (7)°. The title compound crystallizes as the benzene solvate, with one of the benzene molecules positioned on an inversion center. 相似文献
6.
Hasan budak Ahmet Bulut Naziye etin Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m1-m3
The crystal structure of the first acesulfame–metal complex, namely tetraaquabis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐onato 2,2‐dioxide‐κN]cobalt(II), [Co(C4H4NO4S)2(H2O)4], is reported. The CoII ion resides on a twofold axis and is coordinated by four aqua ligands defining the basal plane and by two monodentate acesulfamate ligands, via their ring N atoms, in the axial positions. Two intra‐ and three intermolecular hydrogen‐bonding interactions stabilize the crystal structure and form an infinite three‐dimensional lattice. 相似文献
7.
Minna GünesÛ Jussi Valkonen 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):i101-i103
Calcium tetrathiocyanatodiargentate(I) dihydrate, Ca[Ag2(SCN)4]·2H2O, contains eight‐membered Ag4S4 rings bonded together through shared atoms to form layers parallel to (100). The thiocyanate groups link the layers to Ca–O chains running parallel to the c axis. The Ca atom is located on a twofold rotation axis parallel to b and is surrounded by four water molecules of crystallization and four thiocyanate N atoms in a distorted square antiprism. 相似文献
8.
Zoya A. Solodovnikova Evgeniya S. Zolotova Sergey F. Solodovnikov 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):i6-i8
Two new isotypic triple molybdates, namely tricesium lithium dicobalt tetrakis(tetraoxomolybdate), Cs3LiCo2(MoO4)4, and trirubidium lithium dizinc tetrakis(tetraoxomolybdate), Rb3LiZn2(MoO4)4, crystallize in the non‐centrosymmetric cubic space group I3d and adopt the Cs6Zn5(MoO4)8 structure type. In the parent structure, the Zn positions have 5/6 occupancy, while they are fully occupied by statistically distributed M2+ and Li+ cations in the title compounds. In both structures, all corners of the (M2/3Li1/3)O4 tetrahedra (M = Co and Zn), having point symmetry , are shared with the MoO4 tetrahedra, which lie on threefold axes and share corners with three (M,Li)O4 tetrahedra to form open mixed frameworks. Large alkaline cations occupy distorted cuboctahedral cavities with symmetry. The mixed tetrahedral frameworks in the structures are close to those of mayenite (12CaO·7Al2O3) and the related compounds 11CaO·7Al2O3·CaF2, wadalite (Ca6Al5Si2O16Cl3) and Na6Zn3(AsO4)4·3H2O, but the terminal vertices of the MoO4 tetrahedra are directed in opposite directions along the threefold axes compared with the configurations of Al(Si)O4 or AsO4 tetrahedra. The cation arrangements in Cs3LiCo2(MoO4)4, Rb3LiZn2(MoO4)4 and Cs6Zn5(MoO4)8 repeat the structure of Y3Au3Sb4, being stuffed derivatives of the Th3P4 type. 相似文献
9.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m206-m208
In the polymeric title compound, [Na2(C4H12BO4)2(CH4O)2]n, the two independent sodium cations are bound by five O atoms. All the O atoms of one tetramethoxyborate anion bind cations, forming a tetrameric cluster around a tetragonal inversion centre [Na—O = 2.2777 (18)–2.3907 (16) Å]. Two methanol O atoms bridge the two Na atoms [Na—O = 2.3590 (15)–2.4088 (18) Å] and provide the hydrogen‐bonding H atoms. The second tetramethoxyborate anion provides two O atoms to one Na atom [mean Na—O = 2.31 (2) Å] and two O atoms as donors for crosslinking hydrogen bonds to adjacent tetramers, which complete the three‐dimensional packing. The crystal was a treated as a racemic twin. 相似文献
10.
Michel Fleck Karolina Schwendtner Ana Hensler 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):m122-m125
In bis(glycine) lithium chromate monohydrate {systematic name: poly[aquadi‐μ‐glycinato‐μ‐tetraoxochromato(VI)‐dilithium(I)]}, [CrLi2(C2H5NO2)2O4(H2O)]n, (I) (space group P212121), and bis(glycine) lithium molybdate {systematic name: poly[di‐μ‐glycinato‐μ‐tetraoxomolybdato(VI)‐dilithium(I)]}, [Li2Mo(C2H5NO2)2O4]n, (II) (space group P21), all atoms are located on general positions. The crystal structure of (I) is characterized by infinite chains of corner‐sharing [LiO4] tetrahedra, which are connected by glycine molecules to form layers. [CrO4] tetrahedra are attached to the [LiO4] tetrahedra. Compound (II) contains dimers of [LiO4] tetrahedra which are connected by [MoO4] tetrahedra to form chains, which are in turn connected by glycine molecules to form double layers. 相似文献
11.
Roman V. Shpanchenko Enrique E. Kaul Christoph Geibel Evgeny V. Antipov 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):i88-i90
The structure of dilead vanadium oxide bis(phosphate) contains corrugated layers formed by VO5 square pyramids oriented in opposite directions in a chessboard fashion. The pyramids are connected by tetrahedral PO4 groups. The layers are separated by the Pb atoms and isolated PO4 tetrahedra. 相似文献
12.
Udo Beckmann Sally Brooker 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o653-o655
The structure of the cocrystallized 1:1 adduct of (S,S)‐4‐amino‐3,5‐bis(1‐hydroxyethyl)‐1,2,4‐triazole and (S,S)‐1,2‐bis(2‐hydroxypropionyl)hydrazine, C6H12N4O2·C6H12N2O4, has tetragonal symmetry. All eight O‐ and N‐bound H atoms are involved in intermolecular hydrogen bonds, resulting in infinite zigzag chains of the triazole molecules, with the hydrazine molecules filling the gaps between the chains and completing a three‐dimensional hydrogen‐bonded array. 相似文献
13.
M. Ramos Silva A. Matos Beja J. A. Paixo J. Martin‐Gil 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m380-m382
The title compound, [Cu4Cl8(C4H9NO2)4], crystallizes in the centrosymmetric space group P21/c with a unit cell containing two tetranuclear copper(II) complexes sited on crystallographic inversion centres. The coordination geometry around the central Cu atoms is square pyramidal, with four O atoms in the basal plane and a Cl atom in the apical position. The lateral CuCl4 groups are flattened tetrahedral. The bridging dimethylglycine molecules are present in the dipolar zwitterionic form. The tetranuclear copper complexes exist as isolated entities since only intramolecular hydrogen bonds are found. 相似文献
14.
Barbara Modec Jurij V. Bren
i
Ljubo Goli
《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):780-782
The Mo atoms in the title compounds, i.e. triethylammonium cis‐tetrachlorobis(4‐ethylpyridine‐N)molybdate(III), cis‐(C6H16N)[MoCl4(C7H9N)2], and trans‐tetrachlorobis(4‐ethylpyridine‐N)molybdenum(IV), trans‐[MoCl4(C7H9N)2], are six‐coordinate with octahedral geometry. The Mo atom in the latter complex lies on a site with crystallographic 2/m symmetry. 相似文献
15.
Susanne Mossin Henning Osholm Srensen Hgni Weihe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m204-m206
The crystal structure of the low‐spin (S = 1) MnIII complex [Mn(CN)2(C10H24N4)]ClO4, or trans‐[Mn(CN)2(cyclam)](ClO4) (cyclam is the tetradentate amine ligand 1,4,8,11‐tetraazacyclotetradecane), is reported. The structural parameters in the Mn(cyclam) moiety are found to be insensitive to both the spin and the oxidation state of the Mn ion. The difference between high‐ and low‐spin MnIII complexes is that a pronounced tetragonal elongation of the coordination octahedron occurs in high‐spin complexes and a slight tetragonal compression is seen in low‐spin complexes, as in the title complex. 相似文献
16.
Maria H. Johansson ke Oskarsson 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m102-m104
Tetrakis(dimethyl sulfide)palladium(II) bis(tetrafluoroborate), [Pd(C2H6S)4](BF4)2, (I), and tetrakis(1,4‐oxathiane‐κS)palladium(II) bis(tetrafluoroborate), [Pd(C4H8OS)4](BF4)2, (II), both crystallize as mononuclear square‐planar complexes with tetrafluoroborate as the counter‐ions. The Pd atom accepts four S‐donor atoms and is positioned at an inversion centre in both compounds. The two unique S atoms in the dimethyl sulfide complex, (I), are disordered. The Pd—S distances are in the range 2.3338 (12)–2.3375 (12) Å in (I), and the corresponding distances in the thioxane complex, (II), are 2.3293 (17) and 2.3406 (17) Å. The anions in both compounds interact weakly with the Pd atom. 相似文献
17.
Orde Q. Munro Mthembeni M. Ntshangase 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m224-m227
The low‐spin iron(II) ion of bis(4‐methylpiperidine)(5,10,15,20‐tetraphenylporphyrinato)iron(II), [Fe(TPP)(4‐MePip)2], where TPP is 5,10,15,20‐tetraphenylporphyrinate (C44H28N4) and 4‐MePip is 4‐methylpiperidine (C6H13N), is located at a center of inversion, and there is one molecule in the triclinic unit cell. The axial 4‐MePip ligands adopt a chair conformation and the α‐C atoms are oriented at angles of 21.2 (2) and 32.8 (2)° relative to the closest porphyrin N atoms. The equatorial Fe—NTPP distances are 1.998 (2) and 1.990 (2) Å, while the axial Fe—N distance is 2.107 (2) Å. The relatively short axial coordination distance reflects compression of the molecule along its principal axis by intermolecular non‐bonded interactions. 相似文献
18.
Ludmila S. Ivashkevich Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Oleg A. Ivashkevich Sergey I. Tiutiunnikov Vadim V. Efimov 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m607-m609
The crystal structure of the polymeric title complex, [CuCl2(C3H6N4)]n, has been solved from laboratory X‐ray powder diffraction data collected at room temperature. The structural model obtained was refined with the Rietveld method using geometric soft restraints. There are two Cu atoms, two Cl atoms and one 1,5‐dimethyltetrazole ligand in the asymmetric unit. Both Cu atoms lie on inversion centres and adopt essentially elongated octahedral coordination. Within the octahedra, the elongated axial positions are occupied by Cl atoms, while two Cl and two N atoms (N3 and N4 of the tetrazole ring) are in equatorial sites. Each Cl atom forms an asymmetric bridge between neighbouring Cu atoms, which are also bridged via the N3—N4 bond of the tetrazole ring. These bridges result in the formation of polymeric chains, running along the a axis, with weak C—H⋯Cl hydrogen bonds crosslinking the chains. 相似文献
19.
Paul V. Bernhardt Nathan L. Kilah 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m245-m249
The pendent‐arm macrocyclic hexaamine trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine (L) may coordinate in tetra‐, penta‐ or hexadentate modes, depending on the metal ion and the synthetic procedure. We report here the crystal structures of two pseudo‐octahedral cobalt(III) complexes of L, namely sodium trans‐cyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) triperchlorate, Na[Co(CN)(C13H30N6)](ClO4)3 or Na{trans‐[CoL(CN)]}(ClO4)3, (I), where L is coordinated as a pentadentate ligand, and trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diaminium)cobalt(III) tetraperchlorate tetrahydrate, [Co(CN)2(C14H32N6)][Co(CN)2(C14H30N6)](ClO4)4·4H2O or trans‐[CoL(CN)2]trans‐[Co(H2L)(CN)2](ClO4)4·4H2O, (II), where the ligand binds in a tetradentate mode, with the remaining coordination sites being filled by C‐bound cyano ligands. In (I), the secondary amine Co—N bond lengths lie within the range 1.944 (3)–1.969 (3) Å, while the trans influence of the cyano ligand lengthens the Co—N bond length of the coordinated primary amine [Co—N = 1.986 (3) Å]. The Co—CN bond length is 1.899 (3) Å. The complex cations in (II) are each located on centres of symmetry. The Co—N bond lengths in both cations are somewhat longer than in (I) and span a narrow range [1.972 (3)–1.982 (3) Å]. The two independent Co—CN bond lengths are similar [1.918 (4) and 1.926 (4) Å] but significantly longer than in the structure of (I), again a consequence of the trans influence of each cyano ligand. 相似文献
20.
Lin‐Yan Li Guo‐Bao Li Ming Xiong Ying‐Xia Wang Jian‐Hua Lin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):i115-i116
The structure of a new synthetic compound, diammonium tetrahydroxydecaborate monohydrate, has been determined by single‐crystal X‐ray diffraction. It crystallizes in triclinic space group and all atoms occupy general sites. The title compound is composed of [B10O15(OH)4]4− ions as the fundamental building blocks, and these are linked end‐to‐end by sharing two common O atoms, thus producing infinite chains of composition [B10O14(OH)4]n2n–. These chains are linked by hydrogen bonds, thus forming borate sheets. Water molecules and ammonium ions between these sheets connect adjacent sheets via hydrogen bonds. 相似文献