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1.
Ulrich Flrke Hans Egold Markus Schraa 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):760-762
In the course of our studies of trinuclear osmium cluster complexes with bridging sulfido and hydrido ligands, the new compounds Os3(μ‐H)(μ‐SR)(CO)9(PHCy2) (Cy = cyclohexyl) with R = phenyl, (I) (nonacarbonyl‐1κ3C,2κ3C,3κ3C‐dicyclohexylphosphine‐3κP‐μ‐hydrido‐1:2κ2H‐μ‐phenylthio‐1:2κ2S‐triangulo‐triosmium), [Os3H(C6H5S)(C12H23P)(CO)9], and R = naphthyl, (II) [nonacarbonyl‐1κ3C,2κ2C,3κ4C‐dicyclohexylphosphine‐2κP‐μ‐hydrido‐1:2κ2H‐μ‐(2‐naphthylthio)‐1:2κ2S‐triangulo‐triosmium], [Os3H(C10H7S)(C12H23P)(CO)9], were prepared. We report on these two phosphine‐substituted complexes, which exhibit perceptible changes of the Os—Os bond parameters due to the ligand‐substitution pattern. 相似文献
2.
Tatiana R. Amarante Isabel S. Gonalves Filipe A. Almeida Paz 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(4):m168-m170
The reaction between fluorenyllithium and Mo(η3‐C3H5)Cl(NCMe)2(CO)2 led to the isolation of di‐μ3‐chlorido‐di‐μ3‐hydroxido‐tetrakis[(η3‐allyl)dicarbonylmolybdenum(II)]–9‐fluorenone–tetrahydrofuran (1/1/1), [Mo4(C3H5)4Cl2(OH)2(CO)8]·C4H8O·C13H8O. The tetrametallic Mo4 unit constitutes the first example of a complex containing simultaneously two μ3‐OH groups and two μ3‐Cl anions capping the metallic trigonal prism. The four crystallographically independent Mo2+ centres exhibit distorted octahedral geometry with the η3‐allyl groups being trans‐coordinated to a μ3‐OH group and the carbonyl groups occupying the equatorial plane. Space‐filling tetrahydrofuran and 9‐fluorenone molecules are engaged in strong O—H...O hydrogen‐bonding interactions with Mo4(η3‐allyl)4Cl2(OH)2(CO)8 complexes. 相似文献
3.
Wei Yang Qiang Fu Jing Zhao Huan‐Ren Cheng Yao‐Cheng Shi 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):528-532
The title compounds with terminal N‐heterocyclic carbenes, namely octacarbonyl(imidazolidinylidene‐κC2)di‐μ3‐sulfido‐triiron(II)(2 Fe—Fe), [Fe3(C3H6N2)(μ3‐S)2(CO)8], (I), and octacarbonyl(1‐methylimidazo[1,5‐a]pyridin‐3‐ylidene‐κC3)di‐μ3‐sulfido‐triiron(II)(2 Fe—Fe), [Fe3(C8H8N2)(μ3‐S)2(CO)8], (II), have been synthesized. Each compound contains two Fe—Fe bonds and two S atoms above and below a triiron triangle. One of the eight carbonyl ligands deviates significantly from linearity. In (I), dimers generated by an N—H...S hydrogen bond are linked into [001] double chains by a second N—H...S hydrogen bond. These chains are packed by a C—H...O hydrogen bond to yield [101] sheets. In (II), dimers generated by an N—H...S hydrogen bond are linked by C—H...O hydrogen bonds to form [111] double chains. 相似文献
4.
John Bacsa Hanhua Zhao Kim R. Dunbar 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m561-m564
Two new iron–oxo clusters, viz. di‐μ‐trifluoroacetato‐μ‐oxo‐bis[(2,2′‐bipyridine‐κ2N,N′)(trifluoroacetato‐κO)iron(III)], [Fe2O(CF3CO2)4(C10H8N2)2], and bis(2,2′‐bipyridine)di‐μ3‐oxo‐hexa‐μ‐trifluoroacetato‐bis(trifluoroacetato)tetrairon(III) trifluoroacetic acid solvate, [Fe4O2(CF3CO2)8(C10H8N2)2]·CF3CO2H, contain dinuclear and tetranuclear FeIII cores, respectively. The FeIII atoms are in distorted octahedral environments in both compounds and are linked by oxide and trifluoroacetate ions. The trifluoroacetate ions are either bridging (bidentate) or coordinated to the FeIII atoms via one O atom only. The fluorinated peripheries enhance the solubility of these compounds. Formal charges for all the Fe centers were assigned by summing valences of the chemical bonds to the FeIII atom. 相似文献
5.
Alexander V. Virovets Sergey N. Konchenko 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e383-e384
The structure of the title compound, hexacarbonyl‐1κ3C,2κ3C‐[3(η5)‐cyclopentadienyl]bis(μ3‐selenido)diiron(II)cobalt(II),[CoFe2(μ3‐Se)2(C5H5)(CO)6], was redetermined at room temperature and the correct C2/c space group was assumed instead of the previously reported P space group [Mathur et al. (1995). Organometallics, 14 , 2115–2118]. Analysis of the literature data showed that the previously reported triclinic parameters correspond to a primitive subcell of the actual monoclinic C‐centred cell with cell dimensions close to those found by us. The title compound appeared to be isostructural with the sulfur–selenium analogue. 相似文献
6.
Ana María Atria Ricardo Baggio María Teresa Garland Piedad Corts 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m311-m314
The three title compounds, namely 4‐phenyl‐1H‐imidazolium hexa‐μ2‐chloro‐chloro‐μ4‐oxo‐tris(4‐phenyl‐1H‐imidazole‐κN1)tetracopper(II) monohydrate, (C9H9N2)[Cu4Cl7O(C9H8N2)3]·H2O, hexa‐μ2‐chloro‐μ4‐oxo‐tetrakis(pyridine N‐oxide‐κO)tetracopper(II), [Cu4Cl6O(C5H5NO)4], and hexa‐μ2‐chloro‐tetrakis(2‐methyl‐1H‐imidazole‐κN1)‐μ4‐oxo‐tetracopper(II) methanol trisolvate, [Cu4Cl6O(C4H6N2)4]·3CH4O, exhibit the same Cu4OCl6 framework, where the O atom at the centre of an almost regular tetrahedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl6 octahedron, leading to a rather globular species. This special arrangement of the CuII cations results in a diversity of magnetic behaviours. 相似文献
7.
Alexander S. Romanov Joseph M. Mulroy Mikhail Yu. Antipin Tatiana V. Timofeeva 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):m431-m435
The compounds tricarbonyl(η5‐1‐iodocyclopentadienyl)manganese(I), [Mn(C5H4I)(CO)3], (I), and tricarbonyl(η5‐1‐iodocyclopentadienyl)rhenium(I), [Re(C5H4I)(CO)3], (III), are isostructural and isomorphous. The compounds [μ‐1,2(η5)‐acetylenedicyclopentadienyl]bis[tricarbonylmanganese(I)] or bis(cymantrenyl)acetylene, [Mn2(C12H8)(CO)6], (II), and [μ‐1,2(η5)‐acetylenedicyclopentadienyl]bis[tricarbonylrhenium(I)], [Re2(C12H8)(CO)6], (IV), are isostructural and isomorphous, and their molecules display inversion symmetry about the mid‐point of the ligand C[triple‐bond]C bond, with the (CO)3M(C5H4) (M = Mn and Re) moieties adopting a transoid conformation. The molecules in all four compounds form zigzag chains due to the formation of strong attractive I...O [in (I) and (III)] or π(CO)–π(CO) [in (I) and (IV)] interactions along the crystallographic b axis. The zigzag chains are bound to each other by weak intermolecular C—H...O hydrogen bonds for (I) and (III), while for (II) and (IV) the chains are bound to each other by a combination of weak C—H...O hydrogen bonds and π(Csp2)–π(Csp2) stacking interactions between pairs of molecules. The π(CO)–π(CO) contacts in (II) and (IV) between carbonyl groups of neighboring molecules, forming pairwise interactions in a sheared antiparallel dimer motif, are encountered in only 35% of all carbonyl interactions for transition metal–carbonyl compounds. 相似文献
8.
Alexander S. Romanov Gary F. Angles Mikhail Yu. Antipin Tatiana V. Timofeeva 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(3):m69-m72
The structures of tricarbonyl(formylcyclopentadienyl)manganese(I), [Mn(C6H5O)(CO)3], (I), and tricarbonyl(formylcyclopentadienyl)rhenium(I), [Re(C6H5O)(CO)3], (II), were determined at 100 K. Compounds (I) and (II) both possess a carbonyl group in a trans position relative to the substituted C atom of the cyclopentadienyl ring, while the other two carbonyl groups are in almost eclipsed positions relative to their attached C atoms. Analysis of the intermolecular contacts reveals that the molecules in both compounds form stacks due to short attractive π(CO)...π(CO) and π(CO)...π interactions, along the crystallographic c axis for (I) and along the [201] direction for (II). Symmetry‐related stacks are bound to each other by weak intermolecular C—H...O hydrogen bonds, leading to the formation of the three‐dimensional network. 相似文献
9.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(4):357-361
PhotoCORMs (photo‐active CO‐releasing molecules) have emerged as a class of CO donors where the CO release process can be triggered upon illumination with light of appropriate wavelength. We have recently reported an Mn‐based photoCORM, namely [MnBr(pbt)(CO)3] [pbt is 2‐(pyridin‐2‐yl)‐1,3‐benzothiazole], where the CO release event can be tracked within cellular milieu by virtue of the emergence of strong blue fluorescence. In pursuit of developing more such trackable photoCORMs, we report herein the syntheses and structural characterization of two MnI–carbonyl complexes, namely fac‐tricarbonylchlorido[2‐(pyridin‐2‐yl)‐1,3‐benzothiazole‐κ2N ,N ′]manganese(I), [MnCl(C12H8N2S)(CO)3], (1), and fac‐tricarbonylchlorido[2‐(quinolin‐2‐yl)‐1,3‐benzothiazole‐κ2N ,N ′]manganese(I), [MnCl(C16H10N2S)(CO)3], (2). In both complexes, the MnI center resides in a distorted octahedral coordination environment. Weak intermolecular C—H…Cl contacts in complex (1) and Cl…S contacts in complex (2) consolidate their extended structures. These complexes also exhibit CO release upon exposure to low‐power broadband visible light. The apparent CO release rates for the two complexes have been measured to compare their CO donating capacity. The fluorogenic 2‐(pyridin‐2‐yl)‐1,3‐benzothiazole and 2‐(quinolin‐2‐yl)‐1,3‐benzothiazole ligands provide a convenient way to track the CO release event through the `turn‐ON' fluorescence which results upon de‐ligation of the ligands from their respective metal centers following CO photorelease. 相似文献
10.
Masood Parvez Saqib Ali Sajjad Ahmad Moazzam Hussain Bhatti Muhammad Mazhar 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m334-m335
The crystal structure of catena‐poly[[tri‐n‐butyltin]‐μ‐3‐(1‐naphthylaminocarbonyl)acrylato‐κ2O1:O3], [Sn(C4H9)3(C14H10NO3)]n, is composed of polymeric chains wherein the metal center exhibits a distorted trigonal‐bipyramidal geometry, with three n‐butyl groups defining the trigonal plane [mean Sn—C 2.133 (7) Å] and the axial positions being occupied by the carboxylate O atoms of two different N‐(1‐naphthyl)maleamate ligands with inequivalent Sn—O distances [2.167 (4) and 2.457 (4) Å]. The N‐(1‐naphthyl)maleamate fragment forms an essentially planar seven‐membered ring involving an intramolecular N—H?O hydrogen bond. 相似文献
11.
Dmitry A. Piryazev Mikhail A. Ogienko Alexander V. Virovets Nikolay A. Pushkarevsky Sergey N. Konchenko 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(11):m320-m322
The sterically hindered title complex, [Fe3Te2(C36H40N2)(CO)7], was obtained by substitution of two carbonyl groups in the [Fe3(μ3‐Te)2(CO)9] cluster by the bulky redox‐active N,N′‐bis(2,6‐diisopropylphenyl)acenaphthene‐1,2‐diimine (dpp‐BIAN) ligand. The asymmetric unit contains two molecules of the same geometry. The C=N bond lengths in dpp‐BIAN indicate a rather low level of electron transfer from the cluster core to the dpp‐BIAN ligand. 相似文献
12.
Rafa Petrus Piotr Sobota 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):m275-m280
The zinc alkoxide molecules in di‐μ3‐ethanolato‐diethyltetrakis(μ2‐2‐methyl‐4‐oxo‐4H‐pyran‐3‐olato‐κ3O3,O4:O3)tetrazinc(II), [Zn4(C2H5)2(C2H5O)2(C6H5O3)4], (I), and bis(μ3‐2‐ethoxyphenolato‐κ4O1,O2:O1:O1)bis(μ2‐2‐ethoxyphenolato‐κ3O1,O2:O1)bis(μ2‐2‐methyl‐4‐oxo‐4H‐pyran‐3‐olato‐κ3O3,O4:O3)bis(2‐methyl‐4‐oxo‐4H‐pyran‐3‐olato‐κ2O3,O4)tetrazinc(II) toluene disolvate, [Zn4(C6H5O3)4(C8H9O2)4]·2C7H8, (II), lie on crystallographic centres of inversion. The asymmetric units of (I) and (II) contain half of the tetrameric unit and additionally one molecule of toluene for (II). The ZnII atoms are four‐ and six‐coordinated in distorted tetrahedral and octahedral geometries for (I), and six‐coordinated in a distorted octahedral environment for (II). The ZnII atoms in both compounds are arranged in a defect dicubane Zn4O6 core structure composed of two EtZnO3 tetrahedra and ZnO6 octahedra for (I), and of four ZnO6 octahedra for (II), sharing common corners. The maltolate ligands exist mostly in a μ2‐bridging mode, while the guetholate ligands prefer a higher coordination mode and act as μ3‐ and μ2‐bridges. 相似文献
13.
Xiaoming Liu Colin A. Kilner Malcolm A. Halcrow 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m290-m291
The title compound, [Fe2Cl4O(C7H12N2)4], contains vertex‐sharing distorted tetrahedral [FeOCl3]? and octahedral [FeOCl(HpztBu)4]+ moieties (HpztBu is 5‐tert‐butylpyrazole), linked by a bent oxo bridging ligand. The two FeIII centres are also bridged by intramolecular hydrogen bonds between the pyrazole N—H groups and the O2? and Cl? ligands. 相似文献
14.
Xia Li Ying‐Quan Zou Bo Zheng Huai‐Ming Hu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m197-m199
The title compound, [Eu(C9H9O4)3]n or [Eu(2,3‐DMOBA)3]n, where 2,3‐DMOBA is 2,3‐dimethoxybenzoate, is an infinite one‐dimensional non‐centrosymmetric coordination polymer. The unique EuIII atom is bridged by six carboxylate ligands; it is ennea‐coordinated and has a distorted tricapped trigonal prism geometry. The Eu—O distances are in the range 2.315 (3)–2.959 (5) Å. 相似文献
15.
A Cyclic Arsino Sulfur Diimide as an Intramolecular Bridging Ligand: Synthesis and X-Ray Structure Analysis of Os3(CO)10[μ-(t-Bu)As(NSN)2As(t-Bu)] The eight-membered sulfur diimide heterocycle (t-Bu)As(NSN)2As(t-Bu) ( 8 ) can be incorporated into a trinuclear carbonylosmium cluster either as a mono- or as a bidentate ligand. Reaction of the kinetically labile acetonitrile complex Os3(CO)11(CH3CN) with 8 in CH2Cl2 solution leads to a monosubstituted derivative of Os3(CO)12 of composition Os3(CO)11[(t-Bu)As(NSN)2As(t-Bu)] ( 9 ) which still contains one uncoordinated arsenic atom; addition of a second [Os3(CO)11] fragment to 9 was not observed. However, Me3NO-induced substitution of a carbonyl group in 9 results in coordination of the ligand 8 to the triosmium cluster through both arsenic atoms. The structure of the product Os3(CO)10[μ-(t-Bu)As(NSN)2As(t-Bu)](10)1 was determined by an X-ray structure analysis. I n the triangulo-triosmiumcarbonyl cluster 10 , the ligand 8 occupies two equatorial positions at two adjacent osmium atoms, being coordinated through the arsenic atoms with O s ? As distances of 2.403(1) Å The cluster molecule 10 possesses a 2-symmetry of crystallographic origin. The [Os3(CO)10] fragment and the eight-membered heterocyclic ligand are not changed significantly in their structures as compared with Os3(CO)10 and free 8 , respectively. Nevertheless, coordination of 8 imposes its lower 2-symmetry upon the [Os3(CO)10] fragment. The reduction of mm2- to 2-symmetry (C2v to C2) for the cyclic arsino sulfur diimide 8 is more pronounced in the complex 10 than in the free state. The As …? As distance in 10 (8.878(4) A) is considerably enlarged its compared to 8 (3.683(1) Å). 相似文献
16.
Dr. Jan Dreiser Kasper S. Pedersen Dr. Alexander Schnegg Dr. Karsten Holldack Joscha Nehrkorn Marc Sigrist Dr. Hannu Mutka Dr. Høgni Weihe Dr. Vladimir S. Mironov Prof. Jesper Bendix Prof. Oliver Waldmann 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(11):3693-3701
We have investigated the single‐molecule magnets [MnIII2(5‐Brsalen)2(MeOH)2MIII(CN)6]NEt4 (M=Os ( 1 ) and Ru ( 2 ); 5‐Brsalen=N,N′‐ethylenebis(5‐bromosalicylidene)iminate) by frequency‐domain Fourier‐transform terahertz electron paramagnetic resonance (THz‐EPR), inelastic neutron scattering, and superconducting quantum interference device (SQUID) magnetometry. The combination of all three techniques allows for the unambiguous experimental determination of the three‐axis anisotropic magnetic exchange coupling between MnIII and RuIII or OsIII ions, respectively. Analysis by means of a spin‐Hamiltonian parameterization yields excellent agreement with all experimental data. Furthermore, analytical calculations show that the observed exchange anisotropy is due to the bent geometry encountered in both 1 and 2 , whereas a linear geometry would lead to an Ising‐type exchange coupling. 相似文献
17.
Michael G. S. Londesborough Jonathan Bould Josef Holub John D. Kennedy Mark Thornton‐Pett Bohumil tíbr 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1423-1424
The title compound, 1,1,2,2‐tetracarbonyl‐1,2‐μ‐carbonyl‐4,11‐dimethylsulfido‐closo‐1,2‐dicobaltadodecaborane, [Co2(C4H20B10S2)(CO)5], has a closo 12‐vertex {1,2‐Co2B10H8} structure with SMe2 ligands at the exo‐4‐ and 11‐positions. The cluster displays close structural similarities to the SEt2 analogue. 相似文献
18.
Alexander J. Blake Naomi A. Harris Deborah L. Kays William Lewis Graeme J. Moxey 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(8):m204-m206
The solid‐state structure of the title compound, [Na2Mn2(C32H56N2OSi2)2O2] or [1,8‐C10H6(NSiiPr3)2Mn(μ3‐O)Na(THF)]2, which lies across a crystallographic twofold axis, exhibits a central [Mn2O2Na2]4+ core, with two oxide groups, each triply bridging between the two MnIII ions and an Na+ ion. Additional coordination is provided to each MnIII centre by a 1,8‐C10H6(NSiiPr3)2 [1,8‐bis(triisopropylsilylamido)naphthalene] ligand and to the Na+ centres by a tetrahydrofuran molecule. The presence of an additional Na...H—C agostic interaction potentially contributes to the distortion around the bridging oxide group. 相似文献
19.
Maurice Abou Rida Joseph Saikaili Anthony K. Smith Alain Thozet 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):352-353
The title compound, dicarbonyl‐1κ2C‐di‐μ‐chloro‐1:2κ4Cl‐[cis,cis‐2(η4)‐1,5‐cyclooctadiene]dirhodium(I), [Rh2Cl2(C8H12)(CO)2], consists of a dichloro‐bridged dimer of rhodium, with a non‐bonded Rh?Rh distance of 3.284 (2) Å. One Rh atom is coordinated to two carbonyl ligands, while the other Rh atom is coordinated to the cyclooctadiene moiety. 相似文献
20.
Ana María Atria María Teresa Garland Ricardo Baggio Piedad Corts 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m297-m302
Two new oxo complexes, namely hexa‐μ2‐acetato‐acetatoaquabis(di‐3‐pyridylamine)di‐μ3‐oxo‐tetrairon(III) chloride monohydrate ethanol 1.25‐solvate, [Fe4(C2H3O2)7O2(C10H9N3)2(H2O)]Cl·1.25C2H6O·H2O, (I), containing a tetranuclear [Fe4(μ3‐O)2]8+ unit, and 2‐methylimidazolium hexa‐μ2‐acetato‐acetatodiaqua‐μ3‐oxo‐triiron(III) chloride dihydrate, (C4H7N2)[Fe3(C2H3O2)7O(H2O)2]Cl·2H2O, (II), with a trinuclear [Fe3(μ3‐O)]7+ unit, are presented. Both structures are formed by two well differentiated entities, viz. a compact isolated cluster composed of FeIII ions coordinated to O2− and CH3CO2− anions, and an external group formed by a central Cl− ion surrounded by different solvent groups to which the anion is bound through hydrogen bonding. In the case of (I), charge balance cannot be achieved within the groups, so the structure is macroscopically ionic; in the case of (II), in contrast, each group is locally neutral owing to the internal compensation of charges. The trinuclear complex crystallizes with the metal cluster, chloride anion and 2‐methylimidazolium cation bisected by a crystallographic mirror plane. 相似文献