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1.
Pan
e Naumov Gligor Jovanovski Sheng‐Zhi Hu Il‐Hwan Suh Ibrahim Abdul Razak Suchada Chantrapromma Hoong‐Kun Fun Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1016-1019
The short carbonyl bond in the title compound, [Cu2(C7H4NO3S)4(C3H4N2)4] [Liu, Huang, Li & Lin (1991). Acta Cryst. C 47 , 41–43], is an artifact of disorder in the isothiazol‐3(2H)‐one 1,1‐dioxide part of the 1,2‐benzisothiazol‐3(2H)‐one entity. In the present redetermination, all bond dimensions in the centrosymmetric dinuclear molecule are normal. The five‐coordinate Cu atom shows trigonal–bipyramidal coordination. Hydrogen bonds from the imidazole donor ligand link adjacent molecules into a two‐dimensional layer structure. 相似文献
2.
Michael G. B. Drew Michael J. Hudson Peter B. Iveson Charles Madic 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):434-435
The title compound, aquatris(nitrato)[2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine]samarium dihydrate, [Sm(NO3)3(C18H12N6)(H2O)]·2H2O, was prepared from Sm(NO3)3·6H2O and 2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine. The metal atom is ten‐coordinate being bonded to the terdentate TPTZ ligand, three bidentate nitrates and a water molecule. 相似文献
3.
Omer Andac Yildiray Topcu Veysel T. Yilmaz William T. A. Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m14-m16
The structure of the title complex consists of isolated [Cd(C7H4NO3S)2(C4H11NO2)2] units. The Cd2+ cation lies on an inversion centre and is octahedrally coordinated by two N,O‐bidentate diethanolamine (dea) and two N‐bonded saccharinate (sac) ligands [saccharin is 1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide]. The dea ligands constitute the equatorial plane of the octahedron, forming two five‐membered chelate rings around the CdII ion, while the sac ligands are localized at the axial positions. The Cd—Nsac, Cd—Ndea and Cd—Odea bond distances are 2.3879 (12), 2.3544 (14) and 2.3702 (13) Å, respectively. The H atoms of the free and coordinated hydroxyl groups of the dea ligands are involved in hydrogen bonding with the carbonyl and sulfonyl O atoms of the neighbouring sac ions, while the amine H atom forms a hydrogen bond with the free hydroxyl O atom. The individual molecules are held together by strong hydrogen bonds, forming an infinite three‐dimensional network. 相似文献
4.
Nobuo Okabe Yasunori Muranishi Mamiko Odoko 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m345-m347
The crystal structures of the title complexes, namely trans‐bis(isoquinoline‐3‐carboxylato‐κ2N,O)bis(methanol‐κO)cobalt(II), [Co(C10H6NO2)2(CH3OH)2], and the corresponding nickel(II) and copper(II) complexes, [Ni(C10H6NO2)2(CH3OH)2] and [Cu(C10H6NO2)2(CH3OH)2], are isomorphous and contain metal ions at centres of inversion. The three compounds have the same distorted octahedral coordination geometry, and each metal ion is bonded by two quinoline N atoms, two carboxylate O atoms and two methanol O atoms. Two isoquinoline‐3‐carboxylate ligands lie in trans positions, forming the equatorial plane, and the two methanol ligands occupy the axial positions. The complex molecules are linked together by O—H⋯O hydrogen bonds between the methanol ligands and neighbouring carboxylate groups. 相似文献
5.
Yasunori Muranishi Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m578-m580
trans‐Diaquabis(isoquinoline‐1‐carboxylato‐κ2N,O)cobalt(II) dihydrate, [Co(C10H6NO2)2(H2O)2]·2H2O, and trans‐diaquabis(isoquinoline‐1‐carboxylato‐κ2N,O)nickel(II) dihydrate, [Ni(C10H6NO2)2(H2O)2]·2H2O, contain the same isoquinoline ligand, with both metal atoms residing on a centre of symmetry and having the same distorted octahedral coordination. In the former complex, the Co—O(water) bond length in the axial direction is 2.167 (2) Å, which is longer than the Co—O(carboxylate) and Co—N bond lengths in the equatorial plane [2.055 (2) and 2.096 (2) Å, respectively]. In the latter complex, the corresponding bond lengths for Ni—O(water), Ni—O(carboxylate) and Ni—N are 2.127 (2), 2.036 (2) and 2.039 (3) Å, respectively. Both crystals are stabilized by similar stacking interactions of the ligand, and also by hydrogen bonds between the hydrate and coordinated water molecules. 相似文献
6.
Omer Andac Serkan Guney Yildiray Topcu Veysel T. Yilmaz William T. A. Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m17-m20
Bis(pyridine‐2,6‐dimethanol‐N,O,O′)cobalt(II) disaccharinate dihydrate, [Co(C7H9NO2)2](C7H4NO3S)2·2H2O, (I), and bis(pyridine‐2,6‐dimethanol‐N,O,O′)copper(II) disaccharinate dihydrate, [Cu(C7H9NO2)2](C7H4NO3S)2·2H2O, (II), collectively [M(dmpy)2](sac)2·2H2O (where M is CoII or CuII, sac is the saccharinate anion and dmpy is pyridine‐2,6‐dimethanol), are isostructural. The [M(dmpy)2]2+ cations exhibit distorted octahedral geometry in which the two neutral dmpy species act as tripodal N,O,O′‐tridentate ligands. The crystal packing is determined by hydrogen bonding, as well as by weak pyridine–saccharinate π–π‐stacking interactions. 相似文献
7.
Yanko Moreno Andrs Vega Evgenia Spodine Esvetlana Ushak Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m484-m488
The title compounds, poly[bis(2,2′‐bipyridine)bis(μ3‐hydrogen phosphato)nitratodi‐μ2‐oxo‐dicopper(II)vanadium dihydrate], [Cu2(VO2)(HPO4)2(NO3)(C10H8N2)2]·2H2O, (I), and poly[bis(2,2′‐bipyridine)bis(μ3‐hydrogen phosphato)nitratodi‐μ2‐oxo‐dicopper(II)vanadium phosphoric acid solvate], [Cu2(VO2)(HPO4)2(NO3)(C10H8N2)2]·H3PO4, (II), were obtained by similar hydrothermal methods but under different crystallization conditions. The trinuclear entity which serves as the basic unit in both structures presents two independent CuII ions immersed in similar square‐pyramidal N2O3 environments plus an octahedral VO6 core and is organized into a one‐dimensional polymer, which is essentially identical in the two structures. The compounds are stabilized by different solvates, viz. two crystallization water molecules in (I) and a phosphoric acid molecule in (II), which provide the main structural differences through the diversity of interchain interactions in which they serve as bridges. 相似文献
8.
Juraj ernk Khalil A. Abboud 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m167-m170
Partial reduction of the CuII ions in the aqueous system CuII–en–[Ni(CN)4]2? (1/1/1) (en is 1,2‐diaminoethane) yields a novel heterobimetallic mixed‐valence compound, poly[[aquabis(1,2‐diaminoethane)copper(II)] [hexa‐μ‐cyano‐tetracyanobis(1,2‐diaminoethane)tricopper(I,II)dinickel(II)] dihydrate], [Cu(C2H8N2)2(H2O)][Ni2Cu3(CN)10(C2H8N2)2]·2H2O or [Cu(en)2(H2O)][Cu(en)2Ni2Cu2(CN)10]·2H2O. The structure is formed by a negatively charged two‐dimensional array of the cyano complex [Cu(en)2Ni2Cu2(CN)10]n2n?, [Cu(en)2(H2O)]2+ complex cations and water molecules of crystallization. These last are involved in a complicated hydrogen‐bonding system. The cyano groups act as terminal, μ2‐bridging or μ3‐bridging ligands. 相似文献
9.
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
10.
Robert R. Shuvalov Peter C. Burns 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):i71-i73
Diaquadinitratouranyl(VI) monohydrate is monoclinic (space group P21/c), in contrast to its triclinic polymorph. The main building block of the structure is the finite non‐centrosymmetric [UO2(NO3)2(H2O)2] cluster, which is a uranyl hexagonal bipyramid that shares two non‐opposite equatorial edges with the nitrate triangles, such that the two water molecules are at neighbouring equatorial vertices. There is an interstitial water site in the structure, which is located between adjacent [UO2(NO3)2(H2O)2] clusters. 相似文献
11.
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
12.
Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1462-1464
In the title compound, 2‐(2‐nitrophenylthio)‐1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide, 2‐O2NC6H4S(C7H4NO3S) or C13H8N2O5S2, the planes of the saccharin and nitrophenylthiolate portions are almost orthogonal. The molecules are linked by C—H?O=S hydrogen bonds [C?O 3.308 (3) Å, H?O 2.44 Å and C—H?O 155°] into cyclic centrosymmetric R22(16) dimers, reinforced by aromatic π?π stacking interactions between the nitrated aryl rings. 相似文献
13.
Jin‐Yu Sun Zhen Zhao Yong‐Chao Ma Miao‐Li Zhu Xiang‐Dong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):m4-m6
The crystal structure of the title compound, μ‐2‐hydroxybutanedioato‐1κ2O4,O4′:2κ3O1,O2,O4‐nitrato‐2κO‐tris(1,10‐phenanthroline)‐1κ4N,N′;2κ2N,N′‐dicopper(II) nitrate tetrahydrate, [Cu2(C4H3O5)(NO3)(C12H8N2)3](NO3)·4H2O, contains an unsymmetrical dinuclear copper complex with Cu(phen)2 and Cu(phen)(NO3) moieties (phen is 1,10‐phenanthroline) bridged by a malate (2‐hydroxybutanedioate) ligand, which acts as a double‐bridging and tetradentate ligand. As a result of this double‐bridging action, especially the direct coordination of the O atom of one carboxylate group of malate to the two Cu atoms, the Cu⋯Cu distance is only 4.199 (1) Å and the two phen planes are roughly parallel [the shortest interplanar distance is 3.28 (1) Å], exhibiting an obvious intramolecular π–π stacking interaction. 相似文献
14.
Juraj Kuchr Juraj ernk Werner Massa 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m418-m420
The title compound, bis[diaquabis(ethylenediamine‐κ2N,N′)copper(II)] hexacyanoiron(II) tetrahydrate, [Cu(C2H8N2)2(H2O)1.935]2[Fe(CN)6]·4H2O, was crystallized from an aqueous reaction mixture initially containing CuSO4, K3[Fe(CN)6] and ethylenediamine (en) in a 3:2:6 molar ratio. Its structure is ionic and is built up of two crystallographically different cations, viz. [Cu(en)2(H2O)2]2+ and [Cu(en)2(H2O)1.87]2+, there being a deficiency of aqua ligands in the latter, [Fe(CN)6]4− anions and disordered solvent water molecules. All the metal atoms lie on centres of inversion. The Cu atom is octahedrally coordinated by two chelate‐bonded en molecules [mean Cu—N = 2.016 (2) Å] in the equatorial plane, and by axial aqua ligands, showing very long distances due to the Jahn–Teller effect [mean Cu—O = 2.611 (2) Å]. In one of the cations, significant underoccupation of the O‐atom site is observed, correlated with the appearance of a non‐coordinated water molecule. This is interpreted as the partial contribution of a hydrate isomer. The [Fe(CN)6]4− anions form quite regular octahedra, with a mean Fe—C distance of 1.913 (2) Å. The dominant intermolecular interactions are cation–anion O—H⋯N hydrogen bonds and these interactions form layers parallel to (001). 相似文献
15.
Ljiljana Karanovi Dejan Poleti Jelena Rogan Goran A. Bogdanovi Anne Spasojevi‐de Bir 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m275-m279
The title complexes, catena‐poly[[aqua(1,10‐phenanthroline‐κ2N,N′)cobalt(II)]‐μ‐benzene‐1,4‐dicarboxylato‐κ2O1:O4], [Co(C8H4O4)(C12H8N2)(H2O)], (I), and catena‐poly[[[(di‐2‐pyridyl‐κN‐amine)copper(II)]‐μ‐benzene‐1,4‐dicarboxylato‐κ4O1,O1′:O4,O4′] hydrate], [Cu(C8H4O4)(C10H9N3)]·H2O, (II), take the form of zigzag chains, with the 1,4‐benzenedicarboxylate ion acting as an amphimonodentate ligand in (I) and a bis‐bidentate ligand in (II). The CoII ion in (I) is five‐coordinate and has a distorted trigonal–bipyramidal geometry. The CuII ion in (II) is in a very distorted octahedral 4+2 environment, with the octahedron elongated along the trans O—Cu—O bonds and with a trans O—Cu—O angle of only 137.22 (8)°. 相似文献
16.
Jie Chen Ning‐Hai Hu Jie Zhan Yue‐Sheng Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m337-m338
A new polynuclear titanium(IV) complex, dichlorodeca‐μ2‐oxo‐hexakis(pentamethylcyclopentadienyl)hexatitanium(IV), [Ti6(C10H15)6Cl2O10], has been synthesized by hydrolysis of a titanium complex bearing an N‐(2‐hydroxy‐3,5‐dimethylbenzyl)diethanolamine Mannich ligand. The molecule has two O‐bridged Ti3O3 rings linked to two similar rings through a tetrahedrally O‐coordinated Ti atom. All Ti atoms except the central one are coordinated to pentamethylcyclopentadienyl (Cp*) ligands. The Cp* ligands are arranged with approximate symmetry with respect to the Ti/O/Cl core. 相似文献
17.
Jakob
sterberg Eriksen Alan Hazell Astrid Jensen Josua Jepsen Rasmus Damgaard Poulsen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):551-553
The reaction between tris(ethylenediamine)nickel(II) cations and hexacyanometallate(III) anions (M = Fe, Co) yields ordered bimetallic assemblies, catena‐poly[[tris(ethylenediamine)nickel‐bis(μ‐hexacyanoiron‐N,N′)] trihydrate] and catena‐poly[[tris(ethylenediamine)nickel‐bis(μ‐hexacyanocobalt‐N,N′)] trihydrate], [{Ni(C2H8N2)2}3{M(CN)6}2]·3H2O, in which both cis and trans [Ni(en)2] and [M(CN)6] moieties are linked to give S‐shaped Ni–NC–M–CN–Ni–NC–M–CN–Ni units which are crosslinked to give ribbons parallel to the b axis. The two compounds are isomorphous with mean metal–ligand distances Fe—C = 1.940 (3), Co—C = 1.844 (3) and Ni—N = 2.102 (2) Å for the iron, and 2.105 (3) Å for the cobalt compound. These compounds appear to be identical with those formulated as [Ni(en)2]3[M(CN)6]2·2H2O [Ohba, Maruona, Okawa, Enoki & Latour (1994). J. Am. Chem. Soc. 116 , 11566–11567; Ohba, Fukita & Okawa (1997). J. Chem. Soc. Dalton Trans. pp. 1733–1737] which were indexed on a smaller unit cell and described as disordered. 相似文献
18.
Uwe Kolitsch 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m129-m133
Rubidium chromium(III) dioxalate dihydrate [diaquabis(μ‐oxalato)chromium(III)rubidium(I)], [RbCr(C2O4)2(H2O)2], (I), and dicaesium magnesium dioxalate tetrahydrate [tetraaquabis(μ‐oxalato)magnesium(II)dicaesium(I)], [Cs2Mg(C2O4)2(H2O)4], (II), have layered structures which are new among double‐metal oxalates. In (I), the Rb and Cr atoms lie on sites with imposed 2/m symmetry and the unique water molecule lies on a mirror plane; in (II), the Mg atom lies on a twofold axis. The two non‐equivalent Cr and Mg atoms both show octahedral coordination, with a mean Cr—O distance of 1.966 Å and a mean Mg—O distance of 2.066 Å. Dirubidium copper(II) dioxalate dihydrate [diaquabis(μ‐oxalato)copper(II)dirubidium(I)], [Rb2Cu(C2O4)2(H2O)2], (III), is also layered and is isotypic with the previously described K2‐ and (NH4)2CuII(C2O4)2·2H2O compounds. The two non‐equivalent Cu atoms lie on inversion centres and are both (4+2)‐coordinated. Hydrogen bonds are medium‐strong to weak in the three compounds. The oxalate groups are slightly non‐planar only in the Cs–Mg compound, (II), and are more distinctly non‐planar in the K–Cu compound, (III). 相似文献
19.
Jean‐Claude Daran Pascale Lemoine Bernard Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m210-m212
The asymmetric unit of the title compound, [Zn(C10H6NO2)2(C12H8N2)]·1.5C3H7NO, contains one monomeric zinc complex and 1.5 disordered dimethylformamide solvate molecules. The Zn atom is coordinated to one 1,10‐phenanthroline ligand and to two isoquinolinecarboxylate anions (IQC?) via their N and O atoms. The complex exhibits a distorted octahedral geometry around the ZnII atom, with the apical positions occupied by the O atoms of the IQC? ligands. The Zn atom lies 0.049 (1) Å out of the basal plane. The crystal packing is characterized by several hydrogen bonds. 相似文献
20.
Veysel T. Yilmaz Omer Andac Yildiray Topcu William T. A. Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(3):271-272
In the title complex, [Cu(C7H4NO3S)2(C2H7NO)2], the CuII centre lies on an inversion centre and exhibits octahedral coordination, with the two ethanolamine (Hea) and two saccharinate [sac; anionic 1,2-benzisothiazol-3(2H)-one 1,1-dioxide] ligands in a trans configuration. The bidentate Hea ligands bridge axial and equatorial positions and the sac anions occupy equatorial sites around the distorted octahedral copper(II) centre [Cu—O = 2.3263 (16), Cu—NHea = 1.9923 (16) and Cu—Nsac = 2.1776 (16) Å]. 相似文献