TY  - JOUR
A1  - Zabel, André
A1  - Winter, Alette
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Strauch, Peter
T1  - Tetrabromidocuprates(II)-Synthesis, Structure and EPR
JF  - International journal of molecular sciences
N2  - Metal-containing ionic liquids (ILs) are of interest for a variety of technical applications, e.g., particle synthesis and materials with magnetic or thermochromic properties. In this paper we report the synthesis of, and two structures for, some new tetrabromidocuprates(II) with several “onium” cations in comparison to the results of electron paramagnetic resonance (EPR) spectroscopic analyses. The sterically demanding cations were used to separate the paramagnetic Cu(II) ions for EPR measurements. The EPR hyperfine structure in the spectra of these new compounds is not resolved, due to the line broadening resulting from magnetic exchange between the still-incomplete separated paramagnetic Cu(II) centres. For the majority of compounds, the principal g values (g|| and gK) of the tensors could be determined and information on the structural changes in the [CuBr4]2- anions can be obtained. The complexes have high potential, e.g., as ionic liquids, as precursors for the synthesis of copper bromide particles, as catalytically active or paramagnetic ionic liquids.
KW  - tetrabromidocuprate(II)
KW  - X-ray structure
KW  - electron paramagnetic resonance
KW  - copper(II)
Y1  - 2016
U6  - https://doi.org/10.3390/ijms17040596
VL  - 17
IS  - 4
PB  - MDPI
CY  - Basel
ER  - 
TY  - JOUR
A1  - Schilde, Uwe
A1  - Kelling, Alexandra
A1  - Umbreen, Sumaira
A1  - Linker, Torsten
T1  - Crystal structures of three bicyclic carbohydrate derivatives
JF  - Acta crystallographica Section E ; Crystallographic communications
N2  - The title compounds, [(1R,3R,4R,5R,6S)-4,5-bis(acetyloxy)-7-oxo-2-oxabicyclo-
[4.2.0]octan-3-yl]methyl acetate, C14H18O8, (I), [(1S,4R,5S,6R)-5-acetyloxy-7-
hydroxyimino-2-oxobicyclo[4.2.0]octan-4-yl acetate, C11H15NO6, (II), and
[(3aR,5R,6R,7R,7aS)-6,7-bis(acetyloxy)-2-oxooctahydropyrano[3,2-b]pyrrol-5-
yl]methyl acetate, C14H19NO8, (III), are stable bicyclic carbohydrate derivatives.
They can easily be synthesized in a few steps from commercially available
glycals. As a result of the ring strain from the four-membered rings in (I) and
(II), the conformations of the carbohydrates deviate strongly from the ideal
chair form. Compound (II) occurs in the boat form. In the five-membered
lactam (III), on the other hand, the carbohydrate adopts an almost ideal chair
conformation. As a result of the distortion of the sugar rings, the configurations
of the three bicyclic carbohydrate derivatives could not be determined from
their NMR coupling constants. From our three crystal structure determinations,
we were able to establish for the first time the absolute configurations of all new
stereocenters of the carbohydrate rings.
KW  - crystal structure
KW  - carbohydrate deriv­atives
KW  - conformation
KW  - configuration
Y1  - 2016
U6  - https://doi.org/10.1107/S2056989016018727
SN  - 2056-9890
VL  - 72
IS  - 12
SP  - 1839
EP  - 1844
PB  - IUCR
CY  - Chester
ER  - 
TY  - JOUR
A1  - Siebold, M.
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
A1  - Strauch, Peter
T1  - Heterobimetallic 3d-4-complexes with bis(1;2-dithiooxalato)nickelate(II) as planar bridging block
N2  - Planar bis(1,2-dithiooxalato)nickelates(II) react in aqueous solutions of lanthanide ions to form pentanuclear, heterobimetallic complexes of the general composition [{Ln(H2O)(n)}(2)- {Ni(dto)(2)}(3)] (.) xH(2)O (Ln = Y3+, La3+, Ce3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Tb3+, Dy3+, Ho3+, Er3+, Tm3+, Yb3+, Lu3+; n = 4 or 5; x = 9-12). With [{Nd(H2O)(5)}(2){Ni(S2C2O2)(2)}(3)] (.) xH(2)O (x = 10-12) (1) and [{Er(H2O)(4)}(2){Ni(S2C2O2)(2)}(3)] (.) xH(2)O (x = 9- 10) (2) we were able to isolate two complexes of this series as single crystals, which were characterized by X-ray structure analysis. Depending on the individual ionic radii of the lanthanide ions, the compounds crystallize in two different crystal systems with the following unit cell parameters: 1, monoclinic in P2(1)/c with a = 11.3987(13), b = 11.4878(8), c = 20.823(2)angstrom , beta = 98.907(9)degrees and Z = 2; 2, triclinic in P (1) over bar with a = 10.5091(6), b = 11.0604(6), c = 11.2823(6) angstrom, alpha = 107.899(4)degrees, beta = 91.436(4)degrees, gamma = 112.918(4)degrees and Z = 1. The channels and cavities appearing in the packing of the molecules are occupied by uncoordinated water molecules. High magnetic moments up to 14.65 BM./f.u. have been observed at room temperature due to the combined moments of the individual lanthanide ions
Y1  - 2005
SN  - 0932-0776
ER  - 
TY  - JOUR
A1  - Kirste, Matthias
A1  - Brietzke, Thomas Martin
A1  - Holdt, Hans-Jürgen
A1  - Schilde, Uwe
T1  - The crystal structure of 1,12-diazaperylene, C₁₈H₁₀N₂
JF  - Zeitschrift für Kristallographie - New Crystal Structures
N2  - C₁₈H₁₀N₂, monoclinic, P2₁/c (no. 14), a=7.9297(9) Å,
b=11.4021(14) Å, c=13.3572(15) Å, β=105.363(8)°,
V =1164.5(2) ų, Z =4, Rgt(F)=0.0325, wRref(F²)=0.0774,
T =210(2) K.
Y1  - 2019
U6  - https://doi.org/10.1515/NCRS-2019-0385
SN  - 2196-7105
SN  - 2194-4946
VL  - 234
IS  - 6
SP  - 1255
EP  - 1257
PB  - De Gruyter
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Grunwald, Nicolas
A1  - Kelling, Alexandra
A1  - Holdt, Hans-Jürgen
A1  - Schilde, Uwe
T1  - The crystal structure of 1,1′-bisisoquinoline, C18H12N2
JF  - Zeitschrift für Kristallographie : international journal for structural, physical and chemical aspects of crystalline materials. New crystal structures
N2  - C18H12N2, tetragonal, I41/a (no. 88), a=13.8885(6) Å,
c=13.6718(6) Å, V =2637.2(3) Å3, Z =8, Rgt(F)=0.0295,
wRref(F2)=0.0854, T =210 K.
CCDC no.: 631823
Y1  - 2017
U6  - https://doi.org/10.1515/ncrs-2017-0088
VL  - 232
IS  - 5
SP  - 839
EP  - 841
PB  - de Gruyter
CY  - Berlin
ER  - 
TY  - JOUR
A1  - Schilde, Uwe
A1  - Mickler, Wulfhard
A1  - Uhlemann, Erhard
T1  - Crystal structure of bis(1-phenyl-5-cyclohexyl-pentane-1,3-dionato-copper(II)
Y1  - 1997
SN  - 0044-2968
ER  - 
TY  - JOUR
A1  - Shainyan, Bagrat A.
A1  - Meshcheryakov, Vladimir I.
A1  - Sterkhova, I. V.
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
T1  - Structure of the molecule of 1,2-bis(1-ethyl-1 H -1,2,3-triazol-4-yl)diazene 1-oxide in the crystal and in solutions
N2  - Reduction of 4-nitro-1-ethyl-1H-1,2,3-triazole with aluminum in alkaline medium resulted in a syn-isomer of 1,2- bis(1-ethyl-1H-1,2,3-triazol-4-yl)diazene 1-oxide. The latter according to the data of X-ray diffraction analysis existed in the crystal as the most stable s-cis,s-trans-conformer, and in solution, as showed NMR data, as a mixture of s-cis,s-trans- and s-trans,s-trans-conformers. The data of quantum-chemical calculations are in agreement with the results of the structural studies.
Y1  - 2008
UR  - http://springer.metapress.com/content/p210730742rh4117/
SN  - 1070-4280
ER  - 
TY  - JOUR
A1  - Uhlemann, Erhard
A1  - Schilde, Uwe
A1  - Banße, Wolfgang
A1  - Ludwig, Eberhard
T1  - Crystal structure of bis(1,3-diphenyl-1,3-dionato)oxo-vanadium(IV), C30H2205V
Y1  - 1995
SN  - 0044-2968
ER  - 
TY  - JOUR
A1  - Uhlemann, Erhard
A1  - Schilde, Uwe
A1  - Mickler, Wulfhard
T1  - Crystal structure of bis(1-phenyldecane-1,3-dionato)-copper(II), Cu(C16H21O2)2
Y1  - 1996
SN  - 0044-2968
ER  - 
TY  - THES
A1  - Mirskova, Anna N.
A1  - Adamovich, Sergey N.
A1  - Mirskov, Rudolf G.
A1  - Schilde, Uwe
T1  - Reaction of pharmacological active tris-(2-hydroxyethyl) ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2: first conversion of a protic ionic liquid into metallated ionic liquid
Y1  - 2013
UR  - http://journal.chemistrycentral.com/content/pdf/1752-153X-7-34.pdf
U6  - https://doi.org/10.1186/1752-153X-7-34
ER  -