Crystal growth, crystal structure, optical, electro-optic and electrostrictive properties of the orthorhombic tartrato-antimonate(III) nitrate KZn[Sb2{(+)-C4H2O6}2]NO3 · 5 H2O (“KZnSbTN”)

1994 ◽  
Vol 209 (1) ◽  
Author(s):  
L. Bohatý ◽  
R. Fröhlich
Keyword(s):  
Crystal Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electro Optic ◽  
Electrostrictive Properties

AbstractKZnSbTN is an example from the large acentric double salt-like family of tartrato-antimonates. Its crystal structure was determined from single-crystal X-ray diffraction data (orthorhombic,Single crystals of the title compound of up to 4×4×6 cm

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

scholarly journals Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Artem V. Malin ◽  
Sergei I. Ivlev ◽  
Roman V. Ostvald ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Atomic Coordinates

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

Crystal structure of Tris(ethane-1,2-diamine)nickel(II) diperchlorate monohydrate

1978 ◽  
Vol 31 (2) ◽  
pp. 415 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
AC Willis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Structure Determination ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Very High

The crystal structure of the title compound, [Ni(en)3] (ClO4)2,H2O, has been determined from single-crystal X-ray diffraction data at 295(1) K and refined by least squares to a residual of 0.093 for 1400 'observed' reflections. Crystals are orthorhombic, P bca, a 17.043(7), b 15.922(6), c 13.496(5) Ǻ, Z 8. The precision of the structure determination is adversely affected by very high perchlorate thermal motion. <Ni-N> is 2.13 Ǻ.

The crystal structure of a simple enol formed in a single-crystal-to-single-crystal enolene rearrangement

2004 ◽  
Vol 82 (2) ◽  
pp. 301-305 ◽  
Author(s):  
Kenneth CW Chong ◽  
Brian O Patrick ◽  
John R Scheffer
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Room Temperature ◽  
Thermal Reaction ◽  
Thermal Rearrangement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phenyl Ketone

When crystals of 9-tricyclo[4.4.1.0]undecalyl-4-(carbomethoxy)phenyl ketone (1) were allowed to stand in the dark for extended periods of time at room temperature, the compound underwent a thermal reaction — the enolene rearrangement — to afford enol 2. The crystals remained transparent and appeared unchanged in shape as the reaction proceeded. X-ray diffraction data were collected on single crystals containing 17%, 25%, 66%, and 100% of the enol. The crystal structure of a simple enol was obtained via this novel single-crystal-to-single-crystal enolene rearrangement.Key words: single crystal, thermal, rearrangement, enol, enolene.

Filling up another Gap: Synthesis and Crystal Structure of Ba2H3I

2011 ◽  
Vol 66 (11) ◽  
pp. 1087-1091 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Title Compound ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths

Colorless and transparent single crystals of Ba2H3I were obtained by reacting Ba with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules at 1100 K for 13 h. The crystal structure of the title compound was determined and refined by means of single-crystal X-ray diffraction. Ba2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Sr2H3I in the space group P3̄m1 (no. 164) with the lattice parameters a = 451.86(12) and c = 811.84(23) pm. The structural results for Ba2H3I are consistent with bond lengths and coordination geometries of related binary and ternary hydrides

Notizen: Zur Kristallstruktur von SrPbO3 / The Crystal Structure of SrPbO3

1975 ◽  
Vol 30 (3-4) ◽  
pp. 277-278 ◽  
Author(s):  
Hans-L. Keller ◽  
Karl-H. Meier ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Pressure Synthesis ◽  
Group D

Single crystals of SrPbO3 could be prepared by oxygen-high-pressure-synthesis (PO2 &gt; 3500 at, t = 450°C). Single crystal X-ray diffraction data confirm the space group D2h16-Pnma. SrPbO3 belongs to the orthorhombic distorted Perowskit type with a = 5.964, b = 8.320, c = 5.860 Å. The atomic positions were refined.

Crystal structure of dicadmium(II) ethylenediphosphinetetraacetate octahydrate

1991 ◽  
Vol 56 (7) ◽  
pp. 1454-1460 ◽  
Author(s):  
Jaroslav Podlaha ◽  
Jana Podlahová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Carboxylate Groups

The crystal structure of the title compound containing a phosphorus analogue of EDTA as the ligand was determined from single-crystal X-ray diffraction data and refined to R = 0.028 for 1 920 observed reflections. The crystals are monocyclic, space group P21/c,a = 8.6169(8), b = 16.0539(9), c = 8.2504(6)Å, β = 103.458(7)° and Z = 2. The structure is completely different from that of the nitrogen prototype, [CdEDTA]2-. It consists of double-stranded polymeric layers which are composed of metal coordination polyhedra linked by μ6-hexadentate ligands; the layers lie parallel to the bc plane and are joined along the a axis through hydrogen bonding donated by water molecules. Because of steric requirements of phosphorus, the coordination polyhedron around Cd is greatly distorted and can best be described as a 5 + 3 type. One P atom, two oxygen atoms from two monodentate carboxylate groups and two water molecules form an approximate trigonal bipyramid and further three more remote carboxylate oxygens complete the arrangement, resulting in an O7P distorted bicapped trigonal prism.

scholarly journals Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data

IUCrData ◽  
2018 ◽  
Vol 3 (5) ◽  
Author(s):  
Sergei I. Ivlev ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Potassium Cation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Anisotropic Displacement Parameters ◽  
Current Report

Single crystals of K[BrF4], potassium tetrafluoridobromate(III), were grown from a solution of KHF2 in bromine trifluoride. The current report is the first refinement of the crystal structure of K[BrF4] using single-crystal X-ray diffraction data. In comparison with previous refinements from powder data, the fractional coordinates of the F atom were determined with higher precision, and anisotropic displacement parameters were refined for all atoms. The structure contains square-planar [BrF4]− anions. The coordination polyhedron of the potassium cation is a square antiprism.

Darstellung und Kristallstruktur von (PPh3)3Ag2WS4, einem neuartigen Dreikern-Komplex mit tetraedrisch und trigonal planar koordinierten Ag-Atomen / Preparation and Crystal Structure of (PPh3)3Ag2WS4, a Novel Trinuclear Complex with Tetrahedral and Trigonal Planar Coordination of the Ag Atoms

1979 ◽  
Vol 34 (12) ◽  
pp. 1698-1702 ◽  
Author(s):  
Achim Müller ◽  
Hartmut Bögge ◽  
Elisabeth Königer-Ahlborn
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Water System ◽  
Trinuclear Complex ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Silver Atoms

The title compound was prepared by reaction of AgNO3, P(C6H5)3 and (NH4)2WS4 in a dichloromethane/water system. The crystal structure was determined from single crystal X-ray diffraction data (monoclinic, space group P21/c, with a = 1811,1(2), b = 1735.6(2), c = 1779,7(2) pm, β = 95,02(1)°, V = 5572,7 · 106 pm3, Z = 4). The compound contains a tetradentate WS42- ligand and two silver atoms, having a tetrahedral and trigonal planar coordination.

Crystal structure of (S*S*)-5-(1′-aminoethyl)-4,5-dihydro-3,5-diphenylisoxazole

1989 ◽  
Vol 189 (3-4) ◽  
Author(s):  
Ridha Ben Cheikh ◽  
Ahmed Kallel
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Title Compound ◽  
Direct Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C

AbstractCrystals of the title compound, CAtomic positions have been determined by direct methods from single crystal X-ray diffraction data and refined by least squares to

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