Experimental and theoretical investigation of crystal structure of formamidinium–copper–iodide single crystals grown from aqueous solution

2021 ◽  
pp. 122778
Author(s):  
Naoki Ohashi ◽  
Yoshitaka Matsushita ◽  
Noriko Saito
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Single Crystals ◽  
Theoretical Investigation ◽  
Copper Iodide

Kristallstruktur und hydrothermale Darstellung der Schichtverbindung Be2(PO4)(OH)·2H2O / Crystal Structure and Hydrotherm al Synthesis of the Layered Compound Be2(PO4)(OH)·2H2O

1994 ◽  
Vol 49 (11) ◽  
pp. 1499-1502 ◽  
Author(s):  
Christian Robl ◽  
Volker Göbner
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Water Molecule ◽  
Single Crystals ◽  
Layered Compound ◽  
Crystal Data ◽  
Hydrothermal Conditions ◽  
Space Group ◽  
Oxygen Atoms

AbstractColourless monoclinic single crystals of Be2(PO4)(OH)·2H2O (space group P21/n) have been prepared under hydrothermal conditions in aqueous solution. Crystal data: a = 631.7(1), b = 1108.7(2), c = 812.7(2) pm, β = 105.83(2)°, 910 unique reflections, 108 parameters, Rg = 0.0233. P is tetrahedrally coordinated by 4 oxygen atoms. Each of the two crystallographically unique Be atoms has two phosphate oxygen atoms, one water molecule, and one OH group as coordination partners. The tetrahedra share common vertices and build up a two-dimensionally infinite pattern. The OH group links the two unique Be centered tetrahedra. Loss of water commences at 300 °C and is finished at 580 °C.

207Pb and 205Tl NMR on Perovskite Type Crystals APbX3 (A = Cs, Tl, X = Br, I)

1987 ◽  
Vol 42 (11) ◽  
pp. 1313-1320 ◽  
Author(s):  
Surendra Sharma ◽  
Norbert Weiden ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Chemical Shift ◽  
Single Crystals ◽  
Room Temperature ◽  
Saturated Aqueous Solution ◽  
Chemical Shift Tensor ◽  
Chemical Shift Tensors ◽  
Perovskite Type

By 205Tl and 207Pb NM R the chemical shift in polycrystalline samples of binary halides AX, BX2 and ternary halides ABX3 (A = Cs, Tl; B = Pb; X = Br, I) was studied at room temperature. The chemical shift tensors δ ( 205Tl) and δ (207Pb) were determined in magnitude and orientation on single crystals of the orthorhombic TlPbI3. The components of the δ(205Tl) tensor are δx (205Tl) || a = 611ppm; δy (205Tl) || b = 680 ppm; δZ(205Tl) || c = 1329 ppm; δiso(205Tl) = 873.3 ppm (with respect to 3.4 molar aqueous solution of TlOOCCH3). The chemical shift tensor of 207Pb in TlPbI3 shows two orientations. One of them is: δx (207Pb) = 3760 ppm, inclined 30° from b towards c, δy(207Pb) || a = 3485 ppm, δz(207Pb) = 2639 ppm inclined 120° from b towards c. δiso(207Pb) = 3295 ppm (with respect to saturated aqueous solution of Pb(NO3)2). The results are discussed with respect to the crystal structure and a model to explain orientation and anisotropy of the tensors δ(205Tl) and δ(207Pb) in TlPbI3 is proposed.In the system CsPbBr3-x Ix δ(207Pb) was studied on polycrystalline samples. The chemical shift increases with increasing x and negative excess shift is observed.

Synthesis and Crystal Structure of AgTl3(Cr2O7)2

2010 ◽  
Vol 65 (11) ◽  
pp. 1301-1304 ◽  
Author(s):  
Volker Dietrich ◽  
Dragan Pitzschke ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Single Crystals ◽  
Oxygen Pressure ◽  
Title Compound ◽  
Structure Refinement ◽  
Hydrothermal Conditions ◽  
Synthesis And Crystal Structure ◽  
High Oxygen Pressure ◽  
Pressure Synthesis

Red single crystals of AgTl3(Cr2O7)2 were prepared via high oxygen pressure synthesis as well as by hydrothermal autoclave techniques. Initially, AgTl3(Cr2O7)2 was obtained from a reaction of stoichiometric mixtures of Ag2O, Cr and TlNO3 under elevated oxygen pressures. Following an optimized approach, the title compound can be synthesized at mild hydrothermal conditions, starting from AgNO3, TlNO3 and K2Cr2O7 in aqueous solution. AgTl3(Cr2O7)2 crystallizes in space group C2/c (no. 15) with a = 10.3638(3), b = 10.4817(3), c = 13.4717(4) Å , β = 106.55(1)°, V = 1402.80(5) Å3, and Z = 4. The structure refinement was based on 3554 independent reflections and resulted in R1 = 2.13 %, wR2 = 4.54 %. The crystal structure contains independent Cr2O72− anions, which are surrounded by silver and thallium cations forming layers that are stacked perpendicular to the bc plane.

Synthese und Kristallstruktur neuer 1,1,1,3,3,3-Hexaamino-1λ5,3λ5- diphosphazenium-Salze/ Synthesis and Crystal Structure of Novel 1,1,1,3,3,3-Hexaamino-1λ5,3λ5- diphosphazenium Salts

1999 ◽  
Vol 54 (11) ◽  
pp. 1363-1370 ◽  
Author(s):  
Kai Landskron ◽  
Wolfgang Schnick
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Temperature Gradient ◽  
Single Crystals ◽  
Room Temperature ◽  
Gauche Conformation ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Acetonitrile Solutions ◽  
Ray Methods

1,1,1,3,3,3-Hexaamino-1λ5,3λ5-diphosphazenium bromide [(NH2)3PNP(NH2)3]Br, nitrate [(NH2)3PNP(NH2)3][NO3], and toluene-4-sulfonate [(NH2)3PNP(NH2)3][CH3C6H4SO3] have been prepared by anion exchange in aqueous solution. Single crystals were obtained from acetonitrile solutions in a temperature gradient between 60 °C and room temperature. The crystal structures were determined by single crystal X-ray methods at room temperature. ([(NH2)3PNP(NH2)3]Br: P1̄̄ , Z = 2, a = 596.2( 1 ),b = 744.5( 1), c = 1114.4( 1) pm, α = 108.78( 1), β = 104.18(1), γ = 90.64(1)°, R 1 = 0.048, wR2 = 0.104; [(NH2)3PNP(NH2)3][NO3]: P1̄̄, Z = 2, a = 550.9( 1), b = 796.3( 1), c = 1115.7( 1) pm, α = 94.45( 1), β= 99.55( 1), γ = 101,53( 1)°, R1 = 0.033, wR2 = 0.095; [(NH2)3PNP(NH2)3][CH3C6H4SO3]: P21/c, Z = 4, a = 804.1(1), b = 596.1(1), c = 3218.7(3) pm, β = 94.59(1)°, R1 = 0.052, wR2 = 0.136). In the solid the three salts consist of discrete [(NH2)3PNP(NH2)3]+ cations and their corresponding anions. The PN4 tetrahedra in [(NH2)3PNP(NH2)3]Br are staggered, while in [(NH2)3PNP(NH2)3][NO3] the eclipsed conformation is preferred. The PN4 tetrahedra of [(NH2)3PNP(NH2)3][CH3C6H4SO3] show gauche conformation.

Die Kristallstruktur des Ethylendiammonium-hexasulfids (2. Mitteilung über Alkylammonium-Polysulfide [1])/The Crystal Structure of Ethylenediammonium Hexasulfide

1984 ◽  
Vol 39 (4) ◽  
pp. 416-420 ◽  
Author(s):  
P. Böttcher ◽  
H. Buchkremer-Hermanns ◽  
J. Baron
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Single Crystals ◽  
Unit Cell ◽  
Trans Conformation ◽  
Space Group ◽  
X Ray ◽  
Monoclinic Unit Cell

Ethylenediammonium hexasulfide has been synthesized from ethylenediamine, sulfur, and gaseous H2S in aqueous solution. X-ray investigations on single crystals revealed its structure. The monoclinic unit cell contains eight formula units, the space group is Cc. The sulfur atoms form unbranched zig-zag chains S62- in all-trans-conformation.

Effect of Mn3+ doping on crystal structure, point defects, and optical properties in green Ca3(VO4)2 single crystals

2021 ◽  
pp. 111300
Author(s):  
Galina M. Kuz’micheva ◽  
Liudmila. I. Ivleva ◽  
Irina A. Kaurova ◽  
Evgeny V. Khramov ◽  
Victor B. Rybakov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Single Crystals ◽  
Point Defects

scholarly journals Some Novel Cobalt Diphenylphosphine Complexes: Synthesis, Characterization, and Behavior in the Polymerization of 1,3-Butadiene

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4067
Author(s):  
Giovanni Ricci ◽  
Giuseppe Leone ◽  
Giorgia Zanchin ◽  
Benedetta Palucci ◽  
Alessandra Forni ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
The Novel ◽  
X Ray Diffraction ◽  
X Ray ◽  
And Behavior

Some novel cobalt diphenylphosphine complexes were synthesized by reacting cobalt(II) chloride with (2-methoxyethyl)diphenylphosphine, (2-methoxyphenyl)diphenylphosphine, and 2-(1,1-dimethylpropyl)-6-(diphenylphosphino)pyridine. Single crystals suitable for X-ray diffraction studies were obtained for the first two complexes, and their crystal structure was determined. The novel compounds were then used in association with methylaluminoxane (MAO) for the polymerization of 1,3-butadiene, and their behavior was compared with that exhibited in the polymerization of the same monomer by the systems CoCl2(PnPrPh2)2/MAO and CoCl2(PPh3)2/MAO. Some significant differences were observed depending on the MAO/Co ratio used, and a plausible interpretation for such a different behavior is proposed.

Zum Mineral Johillerit verwandte Oxovanadate RbCd4V3O12 und TlCd4V3O12 / Oxovanadates RbCd4V3O12 and TlCd4V3 O12 Related to the Mineral Johillerite

1997 ◽  
Vol 52 (5) ◽  
pp. 663-668 ◽  
Author(s):  
B. Mertens ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystals ◽  
Solid State Reactions ◽  
Space Group ◽  
Related Compounds

Abstract Single crystals of I RbCd4V3O12 and TlCd4V3O12 II have been prepared by solid state reactions in closed iron tubes. The compounds crystallize closely related to the Johillerite structure in the space group C62h- C2/c with I: a = 13.058(3); b - 13.528(3), c = 7 .0 6 0 (2 )Å , β = 114.88(2)°; II: a = 12.999(6), b = 13.527(7), c = 7.055(3) Å , β = 114.88(4)°, Z = 4. Special features are the loss of Cu2+ in order to gain an additional Cd2+ position. The crystal structure is discussed with respect to related compounds of the Johillerite type.

Unusual π-π interactions directed by [{(C6H6)Ru}2W8O30(OH)2]6– hybrid anion

CrystEngComm ◽  
2021 ◽  
Author(s):  
Anna A Mukhacheva ◽  
Vladislav Komarov ◽  
Vasily Kokovkin ◽  
Alexander S. Novikov ◽  
Pavel A Abramov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Building Block ◽  
Π Interactions

The [{(C6H6)Ru}2W8O30(OH)2]6– hybrid (organometallic-POM) anion was used as a pH-tunable building block to create special conditions for realizing π-π interactions in the crystal structure. Changing pH of aqueous solution of...

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

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