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1.
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
2.
Mohammed Fettouhi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e495-e496
In the title compound, [Zn(NCS)2(C12H16N3O)2], the ZnII ion has a distorted tetrahedral coordination. It is bonded to two thiocyanate and two pyridyl N atoms. The metal ion and the two thiocyanate ligands lie on a mirror plane with the Zn—Npy and average Zn—NNCS bond distances being 2.036 (2) and 1.931 (4) Å, respectively 相似文献
3.
Hümeyra Bat Hanife Sarao
lu Nezihe alsÛkan Serkan Soylu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m342-m343
The title complex, [Co(C2H3O2)2(C7H6N2S)2], contains a Co centre with a slightly distorted tetrahedral coordination geometry, involving two acetate ligands and two N atoms from the thiazole moiety [Co—O = 2.0025 (14) and 1.9953 (16) Å, and Co—N = 2.0524 (18) and 2.0568 (18) Å]. The interplanar angle between the two benzothiazole moieties is 77.86 (3)°. The amine groups, acting as donors, participate in intra‐ and intermolecular N—H⋯O hydrogen bonds, with N⋯O distances in the range 2.806 (2)–2.857 (2) Å. 相似文献
4.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m295-m297
The two title complexes, catena‐poly[[{2,2′‐[1,3‐propanediylbis(nitrilomethylidyne)]diphenolato}cobalt(III)]‐μ‐azido], [Co(C17H16N2O2)(N3)]n, (I), and catena‐poly[[{2,2′‐[1,3‐propanediylbis(nitrilomethylidyne)]diphenolato}cobalt(III)]‐μ‐thiocyanato], [Co(C17H16N2O2)(NCS)]n, (II), are isomorphous polynuclear cobalt(III) compounds. In both structures, the CoIII atom is six‐coordinated in an octahedral configuration by two N atoms and two O atoms of one Schiff base, and two terminal N or S atoms from two bridging ligands. The [N,N′‐bis(salicylidene)propane‐1,3‐diaminato]cobalt(III) moieties are linked by the bridging ligands, viz. azide in (I) and thiocyanate in (II), giving zigzag polymeric chains with backbones of the type [–Co—N—N—N—Co]n in (I) or [–Co—N—C—S—Co]n in (II) running along the c axis. 相似文献
5.
Matthew R. Wood Thomas A. Brettell Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m33-m35
The title salt, methyl (1R,2R,3S,5S,8S)‐3‐benzoyloxy‐8‐methyl‐8‐azabicyclo[3.2.1]octane‐2‐carboxylate tetrachloroaurate(III), (C17H22NO4)[AuCl4], has its protonated N atom intramolecularly hydrogen bonded to the O atom of the methoxycarbonyl group [N⋯O = 2.755 (6) Å and N—H⋯O = 136°]. Two close intermolecular C—H⋯O contacts exist, as well as five C—H⋯Cl close contacts. The [AuCl4]− anion was found to be distorted square planar. 相似文献
6.
In‐Gyung Oh Jong‐Ha Choi Woo‐Taik Lim Ki‐Min Park 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m238-m240
In the title compound, [Cr(ONO)2(cyclam)]NO2 (cyclam is 1,4,8,11‐tetraazacyclotetradecane, C10H24N2), the complex cation is located on a twofold symmetry axis. The central Cr atom has a distorted octahedral coordination, involving two Cr—O bonds, with the monodentate nitrite O atoms adopting a cis configuration, and four Cr—N bonds. The mean Cr—N and Cr—O distances are 2.0895 (14) and 1.9698 (14) Å. 相似文献
7.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
8.
Chen‐Xin Cai Yun‐Qi Tian Yi‐Zhi Li Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):m459-m460
In the title mononuclear cobalt complex, bis(2,6‐dimethyl‐1H,7H‐benzo[1,2‐d:4,5‐d′]diimidazole‐κN3)bis(thiocyanato‐κN)cobalt(II), [CoII(NCS)2(DMBDIZ)2] or [Co(NCS)2(C10H10N4)2], the cobalt(II) ion is coordinated to four N atoms, from two thiocyanate anions and two DMBDIZ ligands, in a distorted tetrahedral geometry. In the DMBDIZ ligand, the two imine N atoms are positioned cis with respect to one another. The crystal packing of the complex is dominated by both hydrogen bonding, involving two N—H?N and two N—H?S interactions, and aromatic π–π stacking. 相似文献
9.
Paul V. Bernhardt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):744-746
The title pendent‐arm macrocyclic hexaamine ligand binds stereospecifically in a hexadentate manner, and we report here its isomorphous NiII and ZnII complexes (both as perchlorate salts), namely (cis‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine‐κ6N)nickel(II) diperchlorate, [Ni(C12H30N6)](ClO4)2, and (cis‐6,13‐dimethyl‐1,4,8,11‐tetraaza‐cyclotetradecane‐6,13‐diamine‐κ6N)zinc(II) diperchlorate, [Zn(C12H30N6)](ClO4)2. Distortion of the N—M—N valence angles from their ideal octahedral values becomes more pronounced with increasing metal‐ion size and the present results are compared with other structures of this ligand. 相似文献
10.
Liang Shen Hua‐Tong Wang Yi‐Jian Zhang Zhi‐Min Jin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m180-m182
The bimetallic title complex, [CuFe(CN)5(C12H30N6O2)(NO)] or [Cu(L)Fe(CN)5(NO)] [where L is 1,8‐bis(2‐hydroxyethyl)‐1,3,6,8,10,13‐hexaazacyclotetradecane], has a one‐dimensional zigzag polymeric –Cu(L)–NC–Fe(NO)(CN)3–CN–Cu(L)– chain, in which the CuII and FeII centres are linked by two CN groups. In the complex, the CuII ion is coordinated by four N atoms from the L ligand [Cu—N(L) = 1.999 (2)–2.016 (2) Å] and two cyanide N atoms [Cu—N = 2.383 (2) and 2.902 (3) Å], and has an elongated octahedral geometry. The FeII centre is in a distorted octahedral environment, with Fe—N(nitroso) = 1.656 (2) Å and Fe—C(CN) = 1.938 (3)–1.948 (3) Å. The one‐dimensional zigzag chains are linked to form a three‐dimensional network via N—H⋯N and O—H⋯N hydrogen bonds. 相似文献
11.
Jaromír Marek Jn Van
o Oga vajlenov 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m509-m511
The title polymeric compound, catena‐poly[dipotassium [bis[μ‐N‐salicylidene‐β‐alaninato(2−)]‐κ4O,N,O′:O′′;κ4O′′:O,N,O′‐dicopper(II)]‐di‐μ‐isothiocyanato‐κ2N:S;κ2S:N], {K[Cu(NCS)(C10H9NO3)]}n, consists of [isothiocyanato(N‐salicylidene‐β‐alaninato)copper(II)]− anions connected through the two three‐atom thiocyanate (μ‐NCS) and the two anti,anti‐μ‐carboxylate bridges into infinite one‐dimensional polymeric anions, with coulombically interacting K+ counter‐ions with coordination number 7 constrained between the chains. The CuII atoms adopt a distorted tetragonal–bipyramidal coordination, with three donor atoms of the tridentate Schiff base and one N atom of the bridging μ‐NCS ligand in the basal plane. The first axial position is occupied by a thiocyanate S atom of a symmetry‐related μ‐NCS ligand at an apical distance of 2.9770 (8) Å, and the second position is occupied by an O atom of a bridging carboxylate group from an adjacent coordination unit at a distance of 2.639 (2) Å. 相似文献
12.
Alain Bekaert Pascale Lemoine Jean Daniel Brion Bernard Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m76-m77
The title compound, tris[(R)‐2‐hydroxypropanamide‐κ2O,O′]zinc(II) tetrabromozincate, [Zn(C3H7NO2)3][ZnBr4], contains one monomeric six‐coordinate zinc complex cation and one tetrahedral [ZnBr4]2− anion. Both ZnII atoms lie on threefold axes. Coordination in the cation occurs via the amide and hydroxy O atoms [Zn—O = 2.074 (5) and 2.073 (6) Å] and has a distorted octahedral geometry, with cis‐O—Zn—O angles in the range 76.2 (2)–109.2 (2)°. In the crystal structure, the cations and anions are linked by N—H⋯Br and O—H⋯O hydrogen bonds, generating a three‐dimensional network. 相似文献
13.
Anna M. M. Meij Stefanus Otto Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m352-m354
The crystal structure of the title compound, trans‐[Pd(NCS)2(C6H13N3P)2](NCS)2, is one of the few palladium(II) complexes containing two protonated water‐soluble 1,3,5‐triaza‐7‐phosphaadamantane (PTA) ligands reported to date. The compound displays a distorted square‐planar geometry, with the Pd atom on an inversion centre and with the S atoms of the thiocyanate counter‐ions occupying the axial positions above and below the equatorial plane described by the phosphine and thiocyanate ligands. Geometric parameters for the formal coordination polyhedron include a Pd—P distance of 2.2940 (8) Å, a Pd—S distance of 2.3509 (8) Å and a P—Pd—S angle of 89.45 (3)°. The effective cone angle for the PTA ligands was calculated as 114.5°. 相似文献
14.
Yoshiki Ohgo Saburo Neya Takahisa Ikeue Noriaki Funasaki Mikio Nakamura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1046-1047
The X‐ray crystallographic analysis of the title complex, chloro[3,10,13,20‐tetraethyl‐4,9,14,19‐tetramethylpentacyclo[16.2.1.12,5.18,11.112,15]tetracosa‐2,4,6,8(23),9,12,14,16,18(21),19‐decaene]iron(III) chloroform solvate, [Fe(C33H37N4)Cl]·CHCl3, reveals a twisted macrocyclic framework with a slightly distorted rectangular pyramidal core, where the deviation of the central FeIII atom from the least‐squares plane of the C20N4 core is 0.594 (1) Å. Some important bond distances are as follows: Fe—N 2.019 (3), 2.026 (3), 2.028 (3) and 2.034 (3) Å; Fe—Cl 2.232 (1) Å. 相似文献
15.
Yan‐Fen Peng Xun‐Gao Liu Bao‐Zong Li Yong Zhang Bao‐Long Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m333-m336
In the title complex, poly[copper(II)‐di‐μ2‐thiocyanato‐μ2‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene], [Cu(NCS)2(C12H12N6)]n, the CuII atom lies on an inversion centre in a tetragonally distorted octahedral environment. Four N atoms from thiocyanate and 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (bbtz) ligands fill the equatorial positions, and S atoms from symmetry‐related thiocyanate ligands fill the axial positions. The benzene ring of the bbtz ligand lies about an inversion centre. Single thiocyanate bridges link the CuII atoms into two‐dimensional sheets containing an unprecedented 16‐membered [Cu4(μ‐NCS‐N:S)4] ring. The bbtz ligands further link the two‐dimensional sheets into a three‐dimensional network. 相似文献
16.
Neil F. Curtis Rebekah Pawley Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m352-m354
The title compound, [NiCl(C12H32N6)(H2O)]Cl3·3H2O, has the bis(diamine)‐substituted cyclic tetraamine in a planar coordination to triplet ground‐state NiII [average Ni—N = 2.068 (3) Å], with a chloride ion [Ni—Cl = 2.4520 (5) Å] and a water molecule [Ni—O = 2.177 (2) Å] coordinated in the axial sites. The amine substituents are protonated and equatorially oriented. The amine groups, ammonium groups, water molecules and chloride ions are linked by an extensive hydrogen‐bonding network. 相似文献
17.
Miroslava Maarov Juraj Kuchr Juraj ernk Werner Massa 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m280-m282
The title compound, tetraethylammonium dodeca‐μ‐cyano‐hexacyanotetrakis(ethylenediamine)tetracadmium(II)triferrate(III), (C8H20N)[Cd4Fe3(CN)18(C2H8N2)4], was prepared from a reaction mixture containing CdCl2, K3[Fe(CN)6], ethylenediamine (en) and [Et4N]Br in a 1:1:3:1 molar ratio. The crystal structure consists of a negatively charged three‐dimensional framework of {[Cd(en)]4[Fe(CN)6]3} anions, with [Et4N]+ cations located in the cavities of the framework. The Cd atom is octahedrally coordinated by one disordered chelating en molecule [mean Cd—N = 2.35 (3) Å] and four N‐bonded bridging cyano groups [Cd—N distances are in the range 2.283 (2)–2.441 (2) Å]. There are two crystallographically independent [Fe(CN)6]3− anions in the structure and in each the Fe atom lies on a twofold axis. In the first [mean Fe—C = 1.941 (5) Å], all the cyano groups are bridging ligands, while in the second [mean Fe—C = 1.945 (2) Å], there are two terminal cyano ligands in trans positions. The Cd—N—C angles range from 128.6 (2) to 172.8 (2)°. 相似文献
18.
Mao‐Lin Hu Hong‐Ping Xiao Ji‐Xin Yuan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m112-m113
In the title compound, poly[[aqua(1,10‐phenanthroline)cobalt(II)]‐μ4‐dihydrogen benzene‐1,2,4,5‐tetracarboxylato], [Co(C10H4O8)(C12H8N2)(H2O)]n, each cobalt(II) cation has an octahedral geometry completed by one aqua O atom, three carboxy O atoms belonging to three H2TCB2− anions (H2TCB2− is dihydrogen benzene‐1,2,4,5‐tetracarboxylate) and two N atoms from a 1,10‐phenanthroline molecule. In the asymmetric unit, there are two half H2TCB2− anions lying about independent inversion centres. The bridging H2TCB2− anions have two coordination modes, viz.μ2‐H2TCB2− and μ4‐H2TCB2−, resulting in a two‐dimensional coordination polymer. Furthermore, a three‐dimensional network is formed by Ocarboxy⋯Ocarboxy hydrogen‐bond interactions, with H⋯A distances in the range 1.69–1.82 Å, and Ocarboxy⋯Owater interactions, with H⋯A distances in the range 1.91–1.94 Å. 相似文献
19.
Pernille Harris Pauli Kofod Yong Sheng Song Erik Larsen 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m58-m60
In the title compound, [Co(C6H15N3)(C7H15N2S)]S2O6·H2O, the Co—C bond distance is 1.9930 (13) Å, which is shorter than for related compounds with the linear 1,6‐diamino‐3‐thiahexan‐4‐ide anion in place of the macrocyclic 1‐thia‐4,7‐diazacyclodecan‐8‐ide anion. The coordinated carbanion produces an elongation of 0.102 (7) Å of the Co—N bond to the 1,4,7‐triazacyclononane N atom in the trans position. This relatively small trans influence is presumably a result of the triamine ligand forming strong bonds to the CoIII atom. 相似文献
20.
Ulrich Flrke Sonja Herres‐Pawlis Andreas Heuwing Adam Neuba Oliver Seewald Gerald Henkel 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m234-m237
Subject to packing with different anions, the title cation undergoes various conformational changes with significantly different N—C—C—C torsion angles, as well as different angles between the NCN2 guanidine planes. The 2,2‐(propane‐1,3‐diyl)bis(1,1,3,3‐tetramethylguanidinium) salts reported here, viz. the dibromide, C13H32N62+·2Br−, the tetraphenylborate chloride, C13H32N62+·C24H20B−·Cl−, the tetrachloromercurate, (C13H32N6)[HgCl4], and the bis(trifluoromethanesulfonate), C13H32N62+·2CF3SO3−, are dominated by strong intermolecular N—H⋯X hydrogen bonds, which form different packing patterns. 相似文献