Published November 2005 | Version v1
Journal article Metadata-only

Sc(III), Eu(III), and Gd(III) complexes with macrocyclic cavitand cucurbit[6]uril: synthesis and crystal structures

Creators

  • 1. SO RAN, Inst. Neorganicheskoj Khimii im. A.V. Nikolaeva, Novosibirsk (Russian Federation)

Description

Slow evaporation of solutions of Sc and Eu nitrates with macrocyclic cavitand cucurbit[6]uril gives crystals of isostructural complexes [Sc(NO3)(H2O)4(C36H36N24O12)](NO3)2 · 8.5H2O (space group Pna21, a = 32.0065(18) A, b = 14.7904(8) A, c = 11.5774(6) A, V=5480.6(5) A3, Z = 4) and [Eu(NO3)(H2O)4(C36H36N24O12)](NO3)2 · 6.75H2O (space group Pna21, a = 31.9525(17) A, b = 14.7203(8) A, c = 11.8592(6) A, V = 5578.0(5) A3, Z = 4). The metal to ligand ratio in these complexes is 1 : 1; the complexes are obtained at 0.025-0.1 mol/l concentrations of the metals in solutions. With higher lanthanide concentrations (0.7-1 mol/l), the 2 : 1 complex with cucurbit[6]uril is formed of the composition [{Gd(NO3)(H2O)5}2(C36H36N24O12)](NO3)4 · 6.5H2O (space group P1-bar, a = 13.3972(6) A, b = 14.4994(5) A, c = 18.3290(8) A, α=73.5610(10) deg, β = 87.2590(10) deg, γ = 87.5540(10) deg, V=3409.4(2) A3, Z = 2) and isotypical complex [{Gd(NO3)(H2O)5}2{(C5H5N) is contained in (C36H36N24O12)}](NO3)4 · 8H2O with a pyridine molecule inside the cucurbit[6]uril cavity (space group P21/n, a=14.8263(6) A, b = 13.3688(7) A, c = 18.5970(9) A, β = 107.5860(10) deg, V = 3513.8(3) A3, Z = 2). According to X-ray diffraction data, the metal atoms of the title complexes coordinate the O atoms in portals of cucurbit[6]uril molecules

Abstract (Russian)

При медленном упаривании растворов нитратов скандия и европия с макроциклическим кавитандом - кукурбит[6]урилом - получены кристаллы изоструктурных комплексов [Sс(NО3)(Н2O)4(С36Н36N24O12)](NO3)2 · 8.5Н2O (пр. гр. Рnа21, а = 32.0065(18), b = 14.7904(8), с=11.5774(6) A, V = 5480.6(5) A3, Z = 4) и [Eu(NО3)(Н2O)4(С36Н36N24O12)](NO3)2 · 6.75Н2O (пр. гр. Pna21, а = 31.9525(17), b = 14.7203(8), с = 11.8592(6) A, V = 5578.0(5) A3, Z = 4). Соотношение металл : лиганд в этих комплексах равно 1:1; соединения получены при концентрациях металлов в растворе 0.025-0.1 моль/л. При более высоких концентрациях лантанидов (0.7 - 1 моль/л) получен комплекс с кукурбит[6]урилом состава 2 : 1, т.е. [{Gd(NO3)(H2O)5}2(С36Н36N24O12)](NO3)4 · 6.5Н2O (пр. гр. Р1-bar, а = 13.3972(6), b = 14.4994(5), с = 18.3290(8) А, α = 73.5610(10) град, β = 87.2590(10) град, γ = 87.5540(10) град, V = 3409.4(2) A3, Z 2) и изотипный ему комплекс [{Gd(NO3)(H2O)5}]2{(C5H5N) is contained in (С36Н36N24O12)}](NO3)4 · 8Н2O с включенной внутрь полости кукурбит[6]урила молекулой пиридина (пр. гр. Р21/n, а = 14.8263(6), b=13.3688(7), с = 18.5970(9) А, β = 107.5860(10) град, V = 3513.8(3) A3, Z = 2). По данным рентгеноструктурного анализа, во всех полученных комплексах атомы металла координируют атомы кислорода в порталах молекул кукурбит[6]урила

Additional details

Additional titles

Original title (Russian)
Синтез и кристаллическая структура комплексов Сc(III), Еу(III) и Гд(III) с макроциклическим кавитандом -кукурбит[6]урилом

Publishing Information

Journal Title
Koordinatsionnaya Khimiya
Journal Volume
31
Journal Issue
11
Journal Page Range
p. 810-817
ISSN
0132-344X
CODEN
KOKHDC

INIS

Country of Publication
Russian Federation
Country of Input or Organization
Russian Federation
INIS RN
37037004
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
BOND LENGTHS; CHEMICAL BONDS; CHEMICAL COMPOSITION; CHEMICAL PREPARATION; CHEMICAL REACTION YIELD; CRYSTAL LATTICES; EUROPIUM COMPLEXES; GADOLINIUM COMPLEXES; HETEROCYCLIC COMPOUNDS; HYDRATES; LATTICE PARAMETERS; MOLECULAR STRUCTURE; ORGANIC NITROGEN COMPOUNDS; ORGANIC OXYGEN COMPOUNDS; SCANDIUM COMPLEXES
Descriptors DEC
COMPLEXES; CRYSTAL STRUCTURE; DIMENSIONS; LENGTH; ORGANIC COMPOUNDS; RARE EARTH COMPLEXES; SYNTHESIS; TRANSITION ELEMENT COMPLEXES; YIELDS

Optional Information

Notes
22 refs., 4 figs., 4 tabs.