Large Molecules from the Virtual Bakery— Filling a Gap in Structure Research

Luger, Peter

doi:10.1002/(sici)1521-3773(19981231)37:24<3353::aid-anie3353>3.0.co;2-i

Angewandte Chemie International Edition

1998

DOI: 10.1002/(sici)1521-3773(19981231)37:24<3353::aid-anie3353>3.0.co;2-i

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Large Molecules from the Virtual Bakery— Filling a Gap in Structure Research

Peter Luger

Abstract: Traditional direct methods alone are not potent enough to solve the crystal structures of mid-sized molecules (over 200 non-hydrogen atoms). Considerably more efficient are the new methods such as shake-and-bake and SHELXD. Even the 1000-atom barrier has now been overcome, so the gap between small and large molecules is closing.

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Cited by 4 publications

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A meso-Helical Coordination Polymer from Achiral Dinuclear [Cu2(H3CCN)2(μ-pydz)3][PF6]2 and 1,3-Bis(diphenylphosphanyl)propane—Synthesis and Crystal Structure of{[Cu(μ-pydz)2][PF6]} (pydz=pyridazine)

et al. 2001

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Reaction of achiral [Cu2(H3CCN)2(mu-pydz)3][PF6]2 (1) (pydz = pyridazine) with bidendate 1,3-bis(diphenylphosphanyl)propane (2) in acetonitrile at room temperature in a 1:1 ratio yielded the mononuclear copper(I) complex [Cu[CH2(CH2PPh2)2]2][PF6] (3) together with new one-dimensional coordination polymer 1 to infinity[[Cu(mu-pydz)2][PF6]] (4). Air-sensitive single crystals of 4, suitable for X-ray structure determination, were grown from a mixture of dichloromethane/ hexane [crystal system: monoclinic; space group: C2/c: a = 21.910(3), b = 12.130(2), c = 25.704(3) A,beta = 110.08(10) degrees, V = 6416.65(16) A3]. The one-dimensional coordination polymer 1 to infinity[[Cu(mu-pydz)2][PF6]] (4) exhibits as outstanding feature the rare structure of a meso-helix.

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A meso-Helical Coordination Polymer from Achiral Dinuclear [Cu2(H3CCN)2(μ-pydz)3][PF6]2 and 1,3-Bis(diphenylphosphanyl)propane—Synthesis and Crystal Structure of{[Cu(μ-pydz)2][PF6]} (pydz=pyridazine)

et al. 2001

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Divalent zinc and cadmium coordination polymers of a new flexible tetracarboxylate ligand: syntheses, crystal structures and properties

et al. 2010

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A series of seven metal-organic frameworks, namely, {[Zn(4)(bptc)(2)(bpp)(2)].3.5H(2)O}(n) (1), {[Zn(2)(bptc)(bix)].H(2)O}(n) (2), {[Zn(2)(bptc)(bpe)(1.5)(H(2)O)(3)].H(2)O}(n) (3), [Zn(2)(Hbptc)(mu(3)-OH)(4,4'-bpy)](n) (4), [Cd(2)(bptc)(bpa)(2)(H(2)O)](n) (5), [Cd(2)(bptc)(bpp)(2)(H(2)O)(2)](n) (6), {[Cd(4)(bptc)(2)(bix)(2)(H(2)O)(2)].4.5H(2)O}(n) (7) (bptc = 2,2',3,3'benzophenonetetracarboxylate), have been hydro(solvo)thermally synthesized through the reaction of 2,2',3,3'-benzophenone tetracarboxylic dianhydride (2,2',3,3'-bptda) with divalent zinc and cadmium salts in the presence of ancillary nitrogen ligands (bpa = 1,2-bis(4-pyridyl)ethane, bpe = 1,2-bis(4-pyridyl)ethene, bpp = 1,3-bi(4-pyridyl)propane, bix = 1,4-bis(imidazol-1-ylmethyl)benzene, and bpy = 4,4'bipyridine). Due to various coordination modes and conformations of the versatile 2,2',3,3'-bptc ligand and co-ligands, these complexes exhibit structural and dimensional diversity. In compounds 1-5, M-bptc (M = Zn or Cd) ribbons are connected together through bpp, bix, bpe, bpy and bpa, respectively, to form metal-organic sheets, which are then united together to generate 3D supramolecular structures through interlayer hydrogen bonding, C-H...pi, or pi...pi interactions. In the structure of 4, the ribbon is formed from interlaced coaxial meso-helical Zn-Hbptc chains, and the meso-helical chains are stabilized by the bpa co-ligand in 5. Compound 6 features a 3D metal-organic framework in which [Cd(2)(bptc)](n)meso-helices are bridged by bpp ligands to exhibit a (2,6,2)-connected self-penetrating network with the Schläfli symbol (12)(4(2)12(9)16(4))(4)(2). Compound 7 also exhibits a 3D metal-organic framework in which [Cd(2)(bptc)](n) layers are connected by pillared bix ligands to yield a (4,4,8)-connected network with the Schläfli symbol (4(16)6(12))(4(4)6(2))(4(4)6(2))(2). Compounds 1 and 7 display intense blue fluorescence emissions at 460 and 465 nm, respectively, and may be suitable as excellent candidates of blue fluorescent materials.

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A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties

Лі

et al. 2012

CrystEngComm

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A series of five coordination polymers, namely, [ 4), [Cd(L)(NDC) 0.5 ] (5) (HL = 3,5-bis(imidazol-1-ylmethyl)benzoic acid hydrochloride, H 2 NDC = naphthalene-1,4-dicarboxylic acid), have been hydrothermally synthesized through the reaction of HL with divalent zinc and cadmium salts, and their structures have been characterized. Due to various coordination modes and conformations of the versatile 3,5bis(imidazol-1-ylmethyl)benzoic acid ligand, these complexes exhibit structural and dimensional diversity. Complexes 1 and 2 are isostructural and exhibit a meso-helical chain structure, and the chains are further connected through the hydrogen bonds to generate a 3D supramolecular network. Complex 3 features a 2D network structure with (6,3) topology. Complex 4 displays a 2-fold interpenetrating ant topological net with the point (Schla ¨fli) symbol of {4 2 .6} 2 {4 4 .6 2 .8 8 .10}. Complex 5 shows a (3,8)-connected tfz-d framework (4 3 ) 2 (4 6 ?6 18 ?8 4 ) topology. The thermal stability, luminescent properties and powder X-ray diffraction (PXRD) were investigated.

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Large Molecules from the Virtual Bakery— Filling a Gap in Structure Research

Cited by 4 publications

References 8 publications

A meso-Helical Coordination Polymer from Achiral Dinuclear [Cu2(H3CCN)2(μ-pydz)3][PF6]2 and 1,3-Bis(diphenylphosphanyl)propane—Synthesis and Crystal Structure of{[Cu(μ-pydz)2][PF6]} (pydz=pyridazine)

A meso-Helical Coordination Polymer from Achiral Dinuclear [Cu2(H3CCN)2(μ-pydz)3][PF6]2 and 1,3-Bis(diphenylphosphanyl)propane—Synthesis and Crystal Structure of{[Cu(μ-pydz)2][PF6]} (pydz=pyridazine)

Divalent zinc and cadmium coordination polymers of a new flexible tetracarboxylate ligand: syntheses, crystal structures and properties

A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties

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