Untersuchungen an Polypseudohalogeniden, VI / Studies on the Polypseudohalides, VI

1989 ◽  
Vol 44 (6) ◽  
pp. 637-640 ◽  
Author(s):  
Karl-Friedrich Tebbe ◽  
Norbert Krauß
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Sodium Cyanide ◽  
Distorted Octahedron ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Oxygen Atoms

The new compound Na[I(CN)2] · 2 H2O can be prepared by addition of iodine to a concentrated aqueous solution of sodium cyanide. It crystallizes in the monoclinic space group P21/c with a = 1044.0(2), b = 480.2(2), c = 730.2(2) pm, β = 95.94(2)° and Z = 2. The crystal structure has been refined to Rf = 0.027 for 692 reflections.The structure may be described as a layer-like package of cations Na+, water molecules and trihalide-analogous anions [I(CN)2]-. The anion is strictly linear at the I atom and nearly linear at the C atoms with φ(I-C-N) = 176.2° and d(I-C) = 231.1, d(C-N) = 110.6 pm. The cation is surrounded by a slightly distorted octahedron of nitrogen and oxygen atoms with d(Na · · ·N) = 263.8, d(Na · · · O) = 242.0, 242.8 pm

The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl·4H2O

1995 ◽  
Vol 59 (394) ◽  
pp. 159-162 ◽  
Author(s):  
G. L. Starova ◽  
S. K. Filatov ◽  
G. L. Matusevich ◽  
V. S. Fundamensky
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Polyhedron ◽  
Specific Interaction ◽  
Distorted Octahedron ◽  
Water Molecules ◽  
Space Group ◽  
Oxygen Atoms

AbsractThe crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl·4H2O, has been determined, space group I4/m, a = 6.870(1), c = 13.342(2) Å, Z = 2, Dx = 2.35 g/cm3. The polyhedron cation chains are parallel to [001] and consist of couples of distorted Ca octahedra alternating with one distorted Al octahedron rotated through 24° with respect to the former. The chains are linked by SO4-tetrahedra so that all of the four tetrahedron oxygen atoms take part in coordination of Ca atoms to form a distorted octahedron with Cl and F atoms. The Al coordination polyhedron consists of two F atoms and four oxygen atoms belonging to water molecules. There is a specific interaction via hydrogen bonds between oxygen atoms of SO4-tetrahedra and water molecules.

scholarly journals Untersuchungen an Polypseudohalogeniden, V[1] Darstellung und Kristallstruktur des Kaliumdicyanoiodats(I), K[I(CN)2] / Studies on the Polypseudohalides, V [1] Preparation and Crystal Structure of K[I(CN)2]

1988 ◽  
Vol 43 (2) ◽  
pp. 149-152 ◽  
Author(s):  
Karl-Friedrich Tebbe ◽  
Norbert Krauß
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Potassium Cyanide ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
Formula Unit ◽  
Compound K ◽  
Space Group

The new compound K[I(CN)2] can be prepared by addition of one formula unit of iodine to a concentrated aqueous solution of two mole equivalents of potassium cyanide. It crystallizes in the monoclinic space group C2/m with a = 736.4, b = 451.4, c = 908.0 pm, β = 92.56° and Z = 2. The crystal structure has been refined to Rf = 0.020 for 301 observed reflections.The structure may be described as a layer-like package of cations K+ and trihalide-analogous anions [I(CN)2]-. The anions are strictly linear at the I atoms (symmetry 2/m) and nearly linear at the C atoms with φ (I-C-N) = 178.6° and d(I-C) = 229.8, d(C-N) = 112.9 pm. The cation is surrounded by a slightly distorted octahedron of nitrogen atoms with d(K···N) = 284.8,292.6 pm

scholarly journals Crystal structure of β-Zn3(PO4)2

1967 ◽  
Vol 45 (20) ◽  
pp. 2303-2316 ◽  
Author(s):  
J. S. Stephens ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Basic Cation ◽  
Cation Coordination ◽  
Oxygen Atoms

β-Zn3(PO4)2 crystallizes in the monoclinic space group P 21/c with lattice parameters, a = 9.393(3) Å, b = 9.170(6) Å, c = 8.686(3) Å, β = 125.73(10)°, and Z = 4. The three independent cations are strongly ligated to 4, 5, and 5 oxygen atoms, with average Zn—O bond distances of 1.98 ± 0.09 Å, 2.10 ± 0.10 Å, and 2.08 ± 0.13 Å respectively. In addition there are two longer Zn—O distances of 2.51 Å and 2.55 Å in this structure. The PO4 groups exist as independent, nearly regular tetrahedra, with each oxygen atom ligated to two cations. Unlike the structures found for the α and γ phases of Zn3(PO4)2, which contain ribbons and sheets respectively as the basic cation coordination motif, the structure of β-Zn3(PO4)2 contains interconnected sheets.

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

Synthese und Kristallstruktur von l,13-Bis(8-chinolyl)- 1,4,7,10,13-pentaoxatridecan-diquecksilber(I)-diperchlorat

1991 ◽  
Vol 46 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Klaus Brodersen ◽  
Jörg Zimmerhackl
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
R Value ◽  
Torsional Angles ◽  
L 13 ◽  
Oxygen Atoms

1,13-Bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane-dimercury(I)-diperchlorate is formed by the reaction of 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane in ethanol with an aqueous solution of dimercury(I)-diperchlorate.It crystallizes in the triclinic space group P Ī with a = 1020.6(2), b = 1200.6(8), c = 1441.1(6) pm , α = 69.60(5)°, β = 83.04(13)°, y = 66.53(4)° and Z = 2. The crystal structure was determined by X -ray diffraction and refined to an R-value o f 0.079. The Hg22+ -ion is coordinated to both nitrogen atoms and four oxygen atoms of one molecule of the ligand. By changing four C - O torsional angles from trans to gauche, the ligand adopts a helical, chiral configuration around the Hg22+-ion. The CIO4--ions are not coordinated to the Hg22+-ion.

Crystal structure of Cd2V2O7

1967 ◽  
Vol 45 (20) ◽  
pp. 2297-2302 ◽  
Author(s):  
P. K. L. Au ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Lattice Parameters ◽  
The Other ◽  
Distorted Octahedron ◽  
Thermal Activity ◽  
Space Group ◽  
Bond Angles ◽  
Central Oxygen ◽  
Oxygen Atoms

Cadmium pyrovanadate crystallizes in the C2/m space group with lattice parameters a = 7.088(5) Å, b = 9.091(5) Å, c = 4.963(5) Å, β = 103°21(5)′, and z = 2. This crystal is an isostructure of the mineral thortveitite and thus the anion consists of a pair of centrosymmetrically related corner-sharing VO4 tetrahedra while the cation resides within a distorted octahedron of oxygen atoms. The anion has a linear V—O—V group, but, as with the isostructural pyrophosphates, the central oxygen atom shows an anomalously high thermal activity. The V—O bond distances are 1.76 Å for the inner bond and 1.70 Å for the terminal bond. The bond angles about the anion and cation are similar to those found for the other analogues of thortveitite.

Organoamido- and Aryloxo-lanthanoids. X. Tris(η2-3,5-di-t-butylpyrazolato)lanthanoid(III) Complexes and the X-Ray Crystal Structure of Er(η2-But2pz)3(thf)2

1994 ◽  
Vol 47 (7) ◽  
pp. 1223 ◽  
Author(s):  
JE Cosgriff ◽  
GB Deacon ◽  
BM Gatehouse ◽  
H Hemling ◽  
H Schumann
Keyword(s):  
Crystal Structure ◽  
Triphenylphosphine Oxide ◽  
The Other ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Oxygen Atoms

The complexes Ln (But2pz)3( thf )2 ( Ln = Y, La, Pr, Nd , Sm, Gd, Dy , Er , Yb, Lu; But2pz- = 3,5-di-t-butylpyrazolate; thf = tetrahydrofuran ), and [ Ln (But2pz)3(OPPh3)2].( dme )n ( Ln = La, n = ⅔ ; Ln = Er , n = 1; dme = 1,2-dimethoxyethane) have been prepared by reaction of the lanthanoid metal with bis ( pentafluorophenyl )mercury and the corresponding pyrazole in either thf , or in dme in the presence of triphenylphosphine oxide. The X-ray crystal structure of Er (η2-But2pz)3( thf )2 [monoclinic, space group P21 (No. 4), a 9.738(4), b 19.602(4), c 11.636(4) Ǻ, β 99.42(3)°, R 0.0374 for 3667 observed reflections] shows the complex to be an eight-coordinate monomer with three chelating But2pz ligands . The arrangement of centres ( Cen ) of the N-N bonds of the But2pz ligands [< Er -N> 2.336 Ǻ; Cen-Er-Cen 140.1(4)°, 110.3(4)° and 109.6(4)°] and the thf oxygen atoms [< Er -O> 2.351 Ǻ; O- Er -O 140.1(4)°] is intermediate between trigonal bipyramidal and square pyramidal. The other Ln (But2pz)3( thf )2 complexes and Ln (But2pz)3(OPPh3)2 are considered to have similar structures.

The crystal structure of N-[[6-methoxy-5-(trifluoromethyl)thio-1-naphthalenyl]thioxomethyl]-N-methylglycine, C16H14F3NO3S2

1983 ◽  
Vol 61 (9) ◽  
pp. 2137-2140 ◽  
Author(s):  
Kottayil I. Varughese ◽  
Maria Przybylska ◽  
Kazimir Sestanj ◽  
Francesco Bellini ◽  
Leslie G. Humber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Attractive Interaction ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Space Group ◽  
Block Diagonal ◽  
Oxygen Atoms

The crystals of C16H14F3NO3S2 belong to the monoclinic space group P21/c with a = 11.577(1), b = 12.404(1), c = 12.366(1) Å, β = 90.01(1)°, and Z = 4. The structure was solved by MULTAN 78. The parameters were refined by block-diagonal least-squares to a final R of 0.047 for 2679 observed reflections. Of particular interest is an intramolecular attractive interaction between the sulfur and oxygen atoms with an [Formula: see text] distance of 2.879(2) Å, in which oxygen appears to act as an electrophile. Intermolecular hydrogen bonds between the hydroxyl and keto groups join the molecules related through a centre of symmetry into dimers.

scholarly journals Metallkomplexe mit Guanidinderivaten als Liganden: Kristallstrukturen von [Zn(cnge)2(SCN)2] · 2H2O und Zn(eoge)Br2 (enge = Cyanoguanidin; eoge = 1-Ethoxyiminomethylguanidin) / Metal Complexes with Guanidine Derivatives as Ligands: Crystal Structures of [Zn(cnge)2(SCN)2]·2H2O und Zn(eoge)Br2 (cnge = Cyanoguanidine; eoge = 1-Ethoxyim inom ethylguanidine)

1996 ◽  
Vol 51 (10) ◽  
pp. 1469-1472 ◽  
Author(s):  
Joachim Pickardt ◽  
Britta Kühn
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Crystal Water ◽  
Space Group ◽  
Guanidine Derivatives

Crystals of |Zn(cnge)2(SCN)2]-2H2O (1) were obtained by evaporation of an aqueous solution of Z n(SO4)·7H2O , KSCN, and cyanoguanidine. Crystals of Zn(eoge)Br2 (2) were obtained by reaction of ZnBr2 and cyanoguanidine in ethanol/water. Both compounds are monoclinic, space group C2/c, 1: Z = 4, a = 1919.6(7), b = 467.3(2), c = 1838.5(6) pm, β = 112.99(3)°, 2: Z = 8, a = 1799.5(6), b = 878.7(2), c = 1367.2(5) pm, β = 101.52(3)°. In 1 each Zn is bonded to two cyanoguanidine molecules and via the N atoms to two NCS groups. Intermolecular hydrogen bonds lead to chains along the a-axis, and these chains are again connected via hydrogen bonds to the two crystal water molecules. In the course of the formation of 2, the cyanoguanidine reacted with the ethanol to form 1-ethoxyiminomethylguanidine. This ligand forms chelate rings with the Zn atoms, which are tetrahedrally coordinated by the two imino N atoms of the ligand and by two bromine atoms.

Die Kristallstruktur von Zinkformiat-Dihydrat

1977 ◽  
Vol 145 (5-6) ◽  
Author(s):  
N. Burger ◽  
H. Fuess
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Three Dimensional Structure ◽  
Oxygen Atoms

AbstractZinc formate cristallizes isomorphous to the formates of Mg, Sr, Cd, Mn and Ni in the monoclinic space groupThe structure has been refined including an isotropic extinction correction toThe octahedra of the two nonequivalent zinc atoms are slightly distorted. Zn(l) in (000) is surrounded by six oxygen atoms of the formate groups [distances Zn(l)–O = 2.071 Å–2.145 Å]; the octahedron of Zn(2) in (½½0) consists of the oxygen atoms of the two formate groups and two water molecules [distances Zn(2)–O = 2.053 Å–2.165 Å].The three-dimensional structure is stabilized by hydrogen bonding between formate groups and water molecules.

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