Hydratisierte Cyanoelpasolithe: Bis(tetramethylammonium)diaquaIithium-hexacyanometallate(III) des Mangans, Eisens und Cobalts / Hydrated Cyanoelpasolites: Bis(tetramethylammonium)diaqualithium-hexacyanometallates(III) of Manganese, Iron and Cobalt

1988 ◽  
Vol 43 (10) ◽  
pp. 1311-1318 ◽  
Author(s):  
M Witzel ◽  
B Ziegler ◽  
D Babel
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Lithium Ions ◽  
Space Group ◽  
Distorted Octahedral ◽  
Face Centered

The crystal structures of three isotypic hexacyanometallates(III) (NMe4)2LiM(CN)6·2H2O have been determined and refined in the monoclinic space group C2/c, Z = 4, to wR = 0.053 (M = Mn, 959 independent single crystal reflections), 0.041 (M =Fe, 2002 reflections) and 0.037 (M = Co, 1881 reflections). The stucture is elpasolite-related by its face-centered pseudocubic arrangement of M atoms within nearly undistorted M(CN)63- octahedra, six of which form strongly distorted octahedral N6 cavities occupied by dihydrated lithium ions. The resulting average distances for the M(CN)63- octahedra are Mn-C = 201, Fe-C = 194.7, Co-C = 190.3, and C-N = 114 pm. The lithium coordination is distorted tetrahedral, consisting of LiO2N2 units with distances of about Li-O = 194, Li -N = 209 pm (for M = Fe, Co). The remaining four N atoms of the N6 cavity are bound by hydrogen bridges from the two aqua ligands, O-H···N = 283 and 295 pm. The relations to the hydrated elpasolite structure of (NMe4)2NaFe(CN)6·H2O are discussed.

Tetrahalogenotellurate(II): Synthese und Kristallstrukturen von Verbindungen mit den Ionen TeX42- (X = Cl, Br, I)/Tetrahalotellurates(II): Syntheses and Crystal Structures of Compounds with TeX42- Ions (X = Cl, Br, I)

1985 ◽  
Vol 40 (2) ◽  
pp. 251-257 ◽  
Author(s):  
Siegfried Pohl ◽  
Wolfgang Saak ◽  
Bernt Krebs
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Acetonitrile Solution ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Square Planar

Abstract The compounds [(C6H5)4As]2 TeCl4 (1), [(C2H5)4 N]2 TeBr4 · CH3CN (2), and [(C2H5)4N]2TeI4 (3) were prepared by the reaction of Te, X2 , and excess (C2H5)4NX (X = Br, I) in acetonitrile solution or by heating of [(C6H5)4 As]2TeCl6 , Te, and (C6H5)4 ASCl for several hours in the same solvent.The structures of 1-3 were determined from single crystal X-ray data.1 crystallizes in the monoclinic space group P21/n with a = 1061.8(2), b = 1614.2(3), c = 1341.7(3) pm, β = 94.21° and Z = 2; 2: tetragonal, P4/mmm, a = 1039.7(2), c = 690.5(1), Z = 1; 3: tetragonal, I4/mmm, a = 1061.7(2), c = 1342.8(4), Z = 2. In 1-3 Te(II) exhibits a square planar coordination. The Te -CI, Te -Br, and Te-I bond lengths were found to be 260.7 (mean), 275.3, and 298.5 pm, respectively.

The crystal structure of Bis[2-(pyridin-2-ylamino)-4-(pyridin-2-yl)thiazole]iron(II) Bis(tetrafluoroborate) trihydrate

1984 ◽  
Vol 37 (2) ◽  
pp. 443 ◽  
Author(s):  
AT Baker ◽  
HA Goodwin ◽  
AD Rae
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Complex Cation ◽  
Monoclinic Space Group ◽  
Octahedral Structure ◽  
Space Group ◽  
X Ray ◽  
Disordered Structure ◽  
Distorted Octahedral ◽  
A Cell

The crystal structure of an iron(II) complex of 2-(pyridin-2-ylamino)-4-(pyridin-2-yl)tliazoe (paptH) has been determined by single-crystal X-ray diffractometry. [Fe(paptH)2] [BF4]2.3H2O is monoclinic, space group P21/c, with Z = 4 in a cell of dimensions a 8.968(6), b 9.038(4), c 41.15(2)�, β 94.81(2)�. The disordered structure was refined to a residual R 0.0826 for 2549 observed reflections. The ligands and anions are orientationally disordered, and the waters of crystallization are positionally disordered. Comprehensive constrained refinement, with 220 parameters for 139 atom positions, produced reliable geometry. The complex cation has a distorted octahedral structure of meridional configuration with both paptH ligands functioning as tridentates.

On racemic and L-malates: a comparison of their crystal structures

2004 ◽  
Vol 219 (2) ◽  
Author(s):  
Michel Fleck ◽  
Ekkehart Tillmanns ◽  
Ladislav Bohatý ◽  
Peter Held
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

AbstractThe crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space groupIn addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

scholarly journals Two Compounds of 1-((4-Bromothiophen-2-Yl)Methylene)-2-(Perfluorophenyl)Hydrazine, and 1-((4-Bromo-5-Methylthiophen-2-Yl)Methylene)-2-(Perfluorophenyl)Hydrazine and They Crystal, Molecular and Electronic Properties

2021 ◽  
Author(s):  
Július Sivý ◽  
Dušan Bortňák ◽  
Daniel Végh ◽  
Erik Rakovský
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Solid Phase ◽  
Diffraction Method ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
Compound I ◽  
Space Group ◽  
Centrosymmetric Space Group ◽  
Compound Ii

The crystals, C11H4BrF5N2S, (I), 1-((4-bromothiophen-2-yl)methylene)-2-(perfluorophenyl)hydrazine and C12H6BrF5N2S, (II), 1-((4-bromo-5-methylthiophen-2-yl)methylene)-2-(perfluorophenyl)hydrazine are molecules with two rings and hydrazone part like a centre of the molecule. The compounds have been synthesized and characterized by elemental, spectroscopic (1H-NMR) analysis. The crystal structures of the solid phase were determined by single crystal X-ray diffraction method. They crystallize in the monoclinic space group with Z = 4 and Z = 2 molecules per unit-cell. The compound (I) crystallizes as a racemate in the centrosymmetric space group and the compound (II) crystallizes as a non-racemate in the non-centrosymmetric space group. The “absolute configuration and conformation for bond values” were derived from the anomalous dispersion (ad) for (II). The crystal structures are revealed diverse non-covalent interactions such as intra- and interhydrogen bonding, π-ring···π-ring, C-H···π-ring and they were investigated. The expected stereochemistry of hydrazones atoms C7, N2 and N1 were confirmed for (I) and (II). The hole molecule of the (I), and (II) possesses “a boat conformation” like a 6-membered ring. The results of the single crystal studies are reproduced with the help of Hirshfeld surface study and Gaussian software.

Structural trends and the electronic structure of the rare-earth oxomolybdates RMo5O8 (R = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo10 clusters

2003 ◽  
Vol 59 (4) ◽  
pp. 472-478 ◽  
Author(s):  
P. Gougeon ◽  
P. Gall ◽  
J.-F. Halet ◽  
R. Gautier
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Theoretical Investigations ◽  
Bonding Mode ◽  
The Rare Earth

The crystal structures of the rare-earth members of the series RMo5O8 (R = Ce to Eu) have been investigated and compared with those of the La and Gd members previously published in order to understand the influences of the size and the charge of the cation on the different Mo—Mo bonds. The RMo5O8 compounds crystallize in the monoclinic space group P21/c. Their crystal structure is characterized by bioctahedral Mo10 clusters forming extended chains. The results of our single-crystal studies show that the modification of charge predominantly affects the Mo—Mo bonds between the Mo10 clusters and, to a lesser extent, the intra-cluster distances, while the cationic size induces only small variations. Theoretical investigations confirm this statement and allow the understanding of the bonding mode in these compounds.

Synthesis and characterization of [MII(bqb)] (M = Co, Ni, Cu), [N(n-Bu)4][CoIII(bqb)(CN)2], and [N(n-Bu)4][CoIII(bqb)(N3)2] containing deprotonated N,N'-bis(2-quinolinecarboxamide)-1,2-benzene (bqb) – X-ray crystal structures of [NiII(bqb)] and [N(n-Bu)4][CoIII(bqb)(N3)2]

2006 ◽  
Vol 84 (7) ◽  
pp. 971-978 ◽  
Author(s):  
Soria Meghdadi ◽  
Mehdi Amirnasr ◽  
Vratislav Langer ◽  
Alison Zamanpoor
Keyword(s):  
Crystal Structures ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
H Nmr ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Elemental Analyses

Cobalt(II), nickel(II), copper(II), and two cobalt(III) complexes of a new dianionic ligand, bqb, [H2bqb = N,N'-bis(2-quinolinecarboxamide)-1,2-benzene] have been synthesized and characterized by elemental analyses, IR, and 1H NMR spectroscopy. The crystal and molecular structures of the [Ni(bqb)] (2) and [N(n-Bu)4][CoIII(bqb)(N3)2] (5) complexes were determined by X-ray crystallography. Complex 2 crystallizes in the monoclinic space group C2/c with a distorted square-planar structure including two short Ni–N (1.848 Å) and two long Ni–N (1.958 Å) bonds. The structure consists of sheets formed in the plane parallel to the b axis and diagonal to vectors a and c by intermolecular hydrogen bonds. Complex 5 crystallizes in the monoclinic space group C2 with a distorted octahedral structure. The [N(n-Bu)4]+ ion is disordered at the C3A and C4A atoms of one Bu. The IR and 1H NMR spectra of the complexes are also discussed.Key words: N4-dianionic amido ligand (bqb), (bqb) complexes of Co(II), Ni(II), Cu(II), and Co(III), azide, cyanide, X-ray crystal structures.

The Crystal Structures of [N,N’-Bis(3-methoxysalicylidene)-1,3- diaminopropane]nickel(II) and -copper(II)

2004 ◽  
Vol 59 (2) ◽  
pp. 228-232 ◽  
Author(s):  
Ayhan Elmali ◽  
Celal T Zeyrek ◽  
Yalcin Elerman
Keyword(s):  
Crystal Structures ◽  
Mirror Symmetry ◽  
Distorted Octahedral Geometry ◽  
Planar Geometry ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Bond Lengths ◽  
Distorted Octahedral

[N,N′’-Bis(3-methoxysalicylidene)-1,3-diaminopropane]nickel(II) dihydrate [Ni(C19H20N2O4)· 2(H2O)] 1 and [N,N′-bis(3-methoxysalicylidene)-1,4-diaminobutane]copper(II) [Cu(C20H22N2O4)] 2 have been synthesized and their crystal structures determined. Crystals of compound 1 are orthorhombic, space group Pnma, a = 7.509(3), b = 22.070(7), c = 11.532(4) Å, V = 1611.1(12) Å3, Z = 4 and Dc = 1.498 g·cm−3. The molecule 1 has mirror symmetry, but the ligand is not planar. The two parts of the Schiff base moieties are folded so as to form an angle of 21.6(1)°. The Ni atom is in a distorted octahedral geometry and coordinated by the donor atoms of the ligand in the horizontal plane and of two water molecules. Crystals of compound 2 are monoclinic, space group P21/c, a = 9.488(1), b = 21.918(3), c = 8.413(1) Å, β = 91.45(1)°, V = 1749.0(4) Å3, Z = 4 and Dc = 1.587 g·cm−3. The Cu atom is coordinated by an N2O2 donor set from the imine-phenol ligand in a distorted planar geometry, with the two phenolate O atoms deprotonated. The Cu-O bond lengths are 1.854(3) and 1.868(3)Å . The Cu-N bond lengths are 1.931(3) and 1.950(3) Å, the dihedral angle between the two 3-methoxysalicylidene groups is 43.4(1)°.

Iodomanganate(II): Darstellung und Kristallstrukturen von (Ph4P)MnI3L, MnI2 L3, [MnIL5]I3 und [MnL6](I3)2 (L = Tetrahydrofuran) / Iodomanganates(II): Synthesis and Crystal Structures of (Ph4P)MnI3L, MnI2L3, [MnIL5]I3 and [MnL6](I3)2

1988 ◽  
Vol 43 (2) ◽  
pp. 175-181 ◽  
Author(s):  
Peter Stolz ◽  
Siegfried Pohl
Keyword(s):  
Characteristic Feature ◽  
Single Crystal ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The compounds (Ph4P)MnI3L (1), MnI2L3 (2), [MnIL5]I3 (3), and [MnL6](I3)2 (4) (L = C4 H8O, thf) were prepared in thf solution and their structures determined from single crystal X-ray diffraction data. 1 crystallizes in the monoclinic space group C2/c with a = 1743.6(1), b = 1985.8(1), c = 1806.7(1) pm, β = 98.74(1)°, Z = 8. The structure of 1 exhibits tetrahedral anions. The Mn-I distance was found to be 268.0 pm (mean). 2: monoclinic, C2/c with a = 1252.3(2), b = 1255.0(3), c = 1271.8(3) pm β = 113.88(2)°, Z = 4. The characteristic feature of the structure of 2 is the existence of neutral MnI2L3 molecules with a distorted trigonal bipyramidal geometry and the iodine atoms in equatorial positions (Mn-I: 271.1 pm). The compound crystallizes from a solution of Mnl2 in tetrahydrofuran. 3: monoclinic, C2/c with a = 1695.3(1), b = 1123.1(1), c = 1646.2(1̱) pm, β = 96.91(1)°, Z = 4. The preparation of 3 from 2 and iodine yields octahedral MnIL+5 cations (Mn-I: 278.8̄ pm) and triiodide anions. 4: monoclinic, P21/n with a = 1005.5(1). b = 1056.8(1), c =1835.6(2) pm, β = 91.16(1)°, Z = 2. 4 is prepared from 3 and iodine in thf solution, and shows octahedral MnL62+ cations and triiodide anions

Darstellung und Kristallstruktur des Dithallium(I)blei(II)tetrathiogermanats(IV) Tl2PbGeS4 / Preparation and Crystal Structure of Dithallium(I)Lead(II) Tetrathiogermanate (IV)

1980 ◽  
Vol 35 (3) ◽  
pp. 335-339 ◽  
Author(s):  
Günther Eulenberger
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
Stoichiometric Mixture ◽  
Coordination Polyhedra ◽  
Prolonged Heating ◽  
Standard Methods ◽  
Space Group ◽  
Intensity Measurements ◽  
Distorted Octahedral

Tl2PbGeS4 was synthetized by fusion of a stoichiometric mixture of Tl2S, PbS, and GeS2, and prolonged heating of the reaction product. A single crystal could be isolated for intensity measurements on an automated four-circle single crystal diffractometer. Tl2PbGeS4 is monoclinic, space group P21/a with a = 8.907(2), b= 9.114(2), c = 10.502(3) Å, β = 94.08(2)°, and Z = 4. The crystal structure was determined by means of standard methods and refined to R = 0.065. The structure is composed of tetrahedral [GeS4]4- anions which are held together by Tl1+ and Pb2+ cations. The GeS4 tetrahedra are only slightly deformed (mean distance Ge-S: 2.220 Å). The Tl atoms are surrounded by eight S atoms at distances ranging from 3.085 to 4.055 Å forming irregular coordination polyhedra. The Pb atom is coordinated by six S atoms in a strongly distorted octahedral arrangement at distances varying from 2.803 to 3.256 A. The Pb atoms and the Tl(2) atoms are alternately situated between slabs of GeS4 tetrahedra parallel to the ab plane. The Tl(l) atoms are found within these slabs located between the GeS4 tetrahedra.

Synthesis, Crystal Structures and Polymorphism of New Cadmium and Zinc Thio- and Selenocyanato Coordination Compounds with 4-Acetylpyridine as N-Donor Ligand

2013 ◽  
Vol 68 (5-6) ◽  
pp. 643-652 ◽  
Author(s):  
Julia Werner ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structures ◽  
Octahedral Geometry ◽  
Polymorphic Modification ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Donor Ligand ◽  
Space Group ◽  
Molar Ratios ◽  
Distorted Octahedral

Reactions of cadmium(II) thio- and selenocyanate with 4-acetylpyridine in different molar ratios and in different solvents always lead to the formation of compounds of composition Cd(NCS)2(4- acetylpyridine)2 (Cd1-I) and Cd(NCSe)2(4-acetylpyridine)2 (Cd2). Both compounds are isotypic and crystallize in the monoclinic space group C2/c. In their crystal structures the Cd cations are coordinated by two N-bonded 4-acetylpyridine ligands as well as two N- and two S/Se-bonded thio- or selenocyanato anions within a slightly distorted octahedral geometry. The Cd cations are linked into chains by pairwise μ-1,3-coordinating thio- or selenocyanato anions. In one reaction single crystals of a second polymorphic modification of composition Cd(NCS)2(4-acetylpyridine)2 (Cd1-II) were obtained by accident. This modification crystallizes monoclinically in space group P21/c, exhibits the same topology of the coordination network as in Cd1-I and Cd2 but a different arrangement of the chains in the crystal. Similar investigations with Zn(II) have revealed that only one compound of composition Zn(NCS)2(4-acetylpyridine)2 can be prepared that crystallizes in the triclinic space group P1. Its structure consists of discrete complexes in which the Zn(II) cations are tetrahedrally coordinated. A corresponding selenocyanato coordination compound could not be prepared

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