[Ba(XeF2)5](AF6)2, A = Ru, Nb - Synthesis, Crystal Structure and Raman Spectra

2008 ◽  
Vol 73 (12) ◽  
pp. 1645-1654 ◽  
Author(s):  
Tina Bunič ◽  
Melita Tramšek ◽  
Evgeny Goreshnik ◽  
Boris Žemva
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Coordination Compound ◽  
Room Temperature ◽  
Formula Unit ◽  
Electrostatic Forces ◽  
Orthorhombic Space Group ◽  
Space Group

The reaction of Ba(NbF6)2 and excess XeF2 in anhydrous HF at room temperature yields [Ba(XeF2)5](NbF6)2. This is the first example of the coordination compound with XeF2 molecule as a ligand and NbF6- anion. It crystallizes in the orthorhombic space group Fmmm, with a = 12.084(6) Å, b = 13.646(7) Å, c = 13.927(7) Å, V = 2297(2) Å3, and Z = 4. The reaction of XeF2·Xe2F3·RuF6 and BaF2 in anhydrous HF yields [Ba(XeF2)5](RuF6)2 - the first example of the coordination compound containing RuF6- anion and XeF2 molecules. It appears to be isostructural with [Ba(XeF2)5](NbF6)2, with a = 11.9510(14) Å, b = 13.5174(14) Å, c = 13.8488(12) Å, V = 2237.2(4) Å3, and Z = 4. The Raman spectra of both compounds prove that all the XeF2 molecules are symmetrical. Four XeF2 molecules per formula unit act as bridges between Ba centres, while one molecule is held in the structure by electrostatic forces. In the series of compounds [Ba(XeF2)5](AF6)2 with A = As, Sb, Ru, Nb, the influence of the anions AF6- was analyzed.

Die Kristallstruktur von 2,4-Diaminovinamidinium-bis-tetrachloroferrat(III), (C9H16N4) [FeCl4]2 / The Crystal Structure of 2,4-Diaminovinamidinium Bis-tetrachloroferrate(III), (C9H16N4)[FeCl4]

1996 ◽  
Vol 51 (8) ◽  
pp. 1137-1140 ◽  
Author(s):  
Michael Feist ◽  
Sergej Trojanov ◽  
Erhard Kemnitz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aqueous Solutions ◽  
Room Temperature ◽  
Orthorhombic Space Group ◽  
Interatomic Distances ◽  
Space Group

(davaH2)[FeCl4]2 crystallizes at room temperature from aqueous solutions of 2,4-diaminovinamidinium hydrochloride, (davaH)Cl, and FeCl3 in 3M HCl in the orthorhombic space group Pca21 with a=14.108(3), b = 16.502(3), c = 18.919(4) Å, Z=8. The structure consists of diprotonated tricyclic (davaH2)2+ cations and slightly distorted tetrahedral [FeCl4]- anions. The cations are bent around the central heptacycle forming boat-like units. One of the two independent cations is disordered between two positions. Some interatomic distances N···Cl are interpreted in terms of N-H···Cl hydrogen bonds.

Alkalimetallformiate, VI. Die Kristallstruktur von Rubidiumhydrogendiformiat, RbH(HCO2)2 [1] / Alkali Metal Formates, VI. The Crystal Structure of Rubidium Hydrogen Diformate, RbH(HCO2)2 [1]

1994 ◽  
Vol 49 (8) ◽  
pp. 1123-1126
Author(s):  
Kerstin Müllera ◽  
Klaus-Jürgen Range ◽  
Anton M. Heyns
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Formic Acid ◽  
Single Crystals ◽  
Title Compound ◽  
Room Temperature ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Metal Formates ◽  
Potassium Compound

Single crystals of the title compound have been obtained by neutralization of formic acid with solid rubidium carbonate and subsequent solvent evaporation at room temperature. The very hygroscopic crystals are orthorhombic, space group Pbca (Nr. 61), with a = 7.614(1), b = 17.926(2), c = 7.862(1) Å and Z = 8. The structure, which has been refined to R = 0.072 and Rw = 0.067 for 1008 unique reflections, is isotypic with that of the analogous potassium compound. It comprises layers of edge-sharing distorted RbO8 square antiprisms, sandwiched between two adjacent formate layers. The sandwiches are hold together by O···H···O inter­actions, which are, however, rather weak.

Investigation of the Cs x Rb1−x TiOAsO4 Series. I. Crystal Structure Analysis and Pseudo-symmetry

1998 ◽  
Vol 54 (5) ◽  
pp. 635-644 ◽  
Author(s):  
M. N. Womersley ◽  
P. A. Thomas ◽  
D. L. Corker
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Low Temperature ◽  
Room Temperature ◽  
Structural Changes ◽  
Crystal Structure Analysis ◽  
Orthorhombic Space Group ◽  
Acta Cryst ◽  
Space Group ◽  
Structural Framework

Refinements of five crystals in the Cs2x Rb2−2x Ti2O2As2O8 series, caesium rubidium titanyl arsenate, with x = 0.07, 0.31, 0.58, 0.71 and 0.86, which are compositional analogues of KTiOPO4 (KTP), have been completed at 293 K and two (x = 0.71, 0.86) at low temperature. All the structures are found to be orthorhombic (space group Pna21) and are isostructural with KTP, although there is evidence of some Cs disorder over additional sites in the framework, particularly at the Cs-rich end of the series, as discussed in Part II [Thomas & Womersley (1998). Acta Cryst. B54, 645–651]. Unusually large U 33 parameters for shared Cs/Rb sites are observed and are shown to be the result of the existence of separate sites for Cs and Rb within the structural framework, although the coordinates of these sites cannot be resolved convincingly. The structural changes in the TiO6/AsO4 framework required to accommodate an increasing fraction of the larger Cs cation across the series and under cooling to 120 K are elucidated. Finally, the deviations of the room-temperature and low-temperature structures from the high-temperature prototypic structure (space group Pnan) are examined and suggest that the phase-transition temperature should increase linearly from CsTiOAsO4 to RbTiOAsO4.

scholarly journals A new cadmium(II) coordination polymer constructed by 2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline and 1,3-benzenecarboxylate: Synthesis, crystal structure, thermal behavior and luminescent property

2014 ◽  
Vol 79 (6) ◽  
pp. 669-676 ◽  
Author(s):  
Zhi-Guo Kong ◽  
Sheng-Nan Guo ◽  
Ying-Xue Zhao ◽  
Dan Song
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Coordination Polymer ◽  
Thermal Behavior ◽  
Luminescent Property ◽  
Room Temperature ◽  
Hydrothermal Condition ◽  
Orthorhombic Space Group ◽  
Ladder Structure ◽  
Space Group

A new Cd(II) coordination polymer, namely, [Cd2(Cl)(1,3-BDC)1.5(L)2]?1.25H2O (1) (L = 2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline and 1,3-BDC = 1,3-benzenedicarboxylate), has been synthesized under hydrothermal condition. The crystal of 1 belongs to orthorhombic, space group P bcn with a = 31.3116(19) ?, b = 13.5485(8) ?, c = 22.9850(15) ?, ? = 90?, ? = 90?, ? = 90?, C50H28.5Cd2Cl3F2N8O7.25, Mr = 1226.46, V = 9750.8(10) ?3, Z = 8, Dc = 1.671 g/cm3, S = 1.038, ?(MoK?) = 1.106 mm-1, F(000) = 4860, R = 0.0585 and wR = 0.1485. Compound 1 shows a 1D ladder structure. Further, neighboring 1D ladders are joined together by ????? interactions to result in a 2D supramolecular layer. The thermal behavior of 1 has been characterized. In addition, its luminescent property has been studied in solid state at room temperature.

Die Kristallstruktur der Verbindung N-Trimethylsilyl-3,4-Dimethylpyridiniumbromid/The Crystal Structure of N -Trimethylsilyl-3,4-dim ethylpyridinium Bromide

1993 ◽  
Vol 48 (1) ◽  
pp. 79-81 ◽  
Author(s):  
Karl Hensen ◽  
Peter Wagner
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Room Temperature ◽  
Ionic Structure ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Lattice Constants

Trimethylbromosilane and 3,4-lutidine form a 1:1 compound which is stable at room temperature. Single crystals of this compound can be isolated by sublimation. It crystallizes in the orthorhombic space group P 2121,21, with lattice constants a = 737,08(9) pm, b = 1295,7(1) pm, c = 1318,8(3) pm. The crystal structure was refined to Rw = 0,042 and proves an ionic structure.

scholarly journals Crystal structures of (η4-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η4-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide

2020 ◽  
Vol 76 (5) ◽  
pp. 611-614
Author(s):  
Chad M. Bernier ◽  
Christine M. DuChane ◽  
Joseph S. Merola
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Single Crystal ◽  
Room Temperature ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Atomic Coordinates

The title complexes, (η4-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide, [Ir(C5H8N2)2(C8H12)]I, (1) and (η4-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide, [Ir(C7H12N2)2(C8H12)]I, (2), were prepared using a modified literature method. After carrying out the oxidative addition of the amino acid L-proline to [Ir(COD)(IMe)2]I in water and slowly cooling the reaction to room temperature, a suitable crystal of 1 was obtained and analyzed by single-crystal X-ray diffraction at 100 K. Although this crystal structure has previously been reported in the Pbam space group, it was highly disordered and precise atomic coordinates were not calculated. A single crystal of 2 was also obtained by heating the complex in water and letting it slowly cool to room temperature. Complex 1 was found to crystallize in the monoclinic space group C2/m, while 2 crystallizes in the orthorhombic space group Pccn, both with Z = 4.

Crystal Structure of Pyridinium Periodate

1998 ◽  
Vol 53 (11) ◽  
pp. 1323-1325 ◽  
Author(s):  
Grzegorz Dutkiewicz ◽  
Zdzisław Pająk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Ferroelectric Phase ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Pyridinium Cations

The crystal structure of the room-temperature ferroelectric phase of pyridinium periodate [C6H5NH]+[IO4]- has been determined by X-ray diffraction as orthorhombic, space group Cmc2i with a = 8.347(2), b = 7.270(2), c = 12.732(3) Å and Z = 4. It was refined to R1 =0.0281 wR2 = 0.0762 for 389 absorption-corrected reflections. The structure comprises isolated IO4 tetrahedra linked together by disordered pyridinium cations involved in a network of bifurcated hydrogen bonds. The average I-O distance is found to be 1.75(1) Å.

Untersuchungen an Polypseudohalogeniden, II. Darstellung und Kristallstruktur des Rubidiumdicyanotriiodids, Rb[I(ICN)2]/ Studies on the Polypseudohalides, II. Preparation and Crystal Structure of Rb[I(ICN)2]

1983 ◽  
Vol 38 (5) ◽  
pp. 549-553 ◽  
Author(s):  
Karl-Friedrich Tebbe ◽  
Roland Fröhlich
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Minimum Distance ◽  
Alkali Halides ◽  
Formula Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Simple Addition ◽  
Anionic Groups

AbstractThe new compound Rb[I(ICN)2] can be prepared in aqueous solution by simple addition of two mole equivalents of ICN to one formula unit Rbl. The solid is isotypic with Cs[I(ICN)2] and crystallizes in the orthorhombic space group Pmmn with a = 16.246 Å, b = 6.795 Å, c = 4.397 Å and Z = 2. The crystal structure has been solved from diffractometer data and refined to R = 0.035 for 313 observed reflections. The structure may be interpreted as a layer-like package of Rb+ cations and pentahalideanalogous anions [I(ICN2]-. The anionic groups are angular with symmetry mm 2 and φ ( I-I-- I ) = 128.69°, φ(I--I-C) = 175.5°, φ=(I-C-N) = 177°, d(I--I) = 3.271 Å, d(I-C) = 2.11 A, d(C-N) = 1.13 A. The cation is surrounded by a distorted cube of iodine atoms with a minimum distance d(Rb-I) = 3.775 Å.Some additional results on the reactions of alkali halides and halogenocyans in different solvents are mentioned and compared with those described elsewhere.

scholarly journals The Crystal Structure of β-CsIO4, the Room-Temperature Modification of Cesium Periodate

1996 ◽  
Vol 51 (3) ◽  
pp. 441-443 ◽  
Author(s):  
Danita de Waal ◽  
Manfred Zabel ◽  
Klaus-Jürgen Range
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Temperature Modification ◽  
Cs Ions

Abstract The crystal structure of β-CsIO4, the room-temperature modification of cesium periodate, was determined as orthorhombic, space group Pnma, with a = 5.8644(5), b = 6.0326(4), c = 14.379(1) A and Z = 4.The structure was refined to R1= 0.0309, wR2 = 0.0701 for 425 absorption-corrected reflections. β-CsIO4 is isostructural with β-CsReO4. The structure comprises isolated IO4 tetrahedra, linked together by Cs ions. The average I-O dis­tance was found to be 1.747 Å .

scholarly journals The Unusual Coordination Sphere in the Octaammine Calcium(II) Ions of [Ca(NH3)8]Br2 and [Ca(NH3)8]I2 and the Thermal Decomposition of the Iodide to [Ca(NH3)6]I2

2014 ◽  
Vol 69 (11-12) ◽  
pp. 1141-1148 ◽  
Author(s):  
Patrick Woidy ◽  
Antti J. Karttunen ◽  
Thomas G. Müller ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Coordination Sphere ◽  
Coordination Polyhedron ◽  
Room Temperature ◽  
Liquid Ammonia ◽  
Colorless Powder ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group

We report on the synthesis and crystal structure of the octaammine calcium(II) halides [Ca(NH3)8]Br2, and [Ca(NH3)8]I2, which were synthesized by the reaction of the respective calcium( II) halides with dry liquid ammonia. The compounds form colorless crystals which crystallize isotypically at 123 K with Z = 4 in the orthorhombic space group Pnma with a = 12:0478(3), b = 7:4406(2), c = 15:7216(4) Å, V = 1409:33(6) Å3 for the bromide, and a = 12:1113(4), b = 7:7706(3), c = 16:7145(6) Å, V = 1573:0(1) Å3 for the iodide. Instead of the expected tetragonal antiprism for the eightfold-coordinated Ca2+ ions, we observed a coordination polyhedron best described as a twofold capped trigonal prism. After evaporation of the liquid ammonia and warming of [Ca(NH3)8]I2 to room temperature, [Cu(NH3)6]I2 was obtained as a colorless powder. The hexaammine calcium(II) iodide crystallizes isotypically to [Mn(NH3)6]I2 (CaF2 type) in the cubic space group Fm3̅m with a = 11:18580(6) Å, V = 1399:59(1) Å3, Z = 4 at 293 K

Sign in / Sign up

Export Citation Format

Share Document