scholarly journals Darstellung und Charakterisierung der μ3-Oxo-Cluster [Cp3Mo3(CO)4µ-Cl)(µ3-O)] und [Cp3Mo3(µ-CO)3(CO)3(µ3-O)]+ / Synthesis and Characterization of the µ3-Oxo Clusters [Cp3Mo3(CO)4μ-Cl)(μ3-O)] and [Cp3Mo3(μ-CO)3(CO)3(μ3-O)]+

1990 ◽  
Vol 45 (4) ◽  
pp. 508-514 ◽  
Author(s):  
B. Nuber ◽  
W. Schatz ◽  
M. L. Ziegler
Keyword(s):  
Structure Analysis ◽  
Elemental Analysis ◽  
Spectroscopic Data ◽  
Synthesis And Characterization ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

[CpMo(CO)3]2 (1) (Cp = cyclopentadienyl) reacts with InCl3 in diglyme to yield the oxo-cluster [Cp3Mo3(CO)4(μ-Cl)(μ3-O)] (2) and the cationic oxo-cluster [Cp3Mo3(μ-CO)3(CO)3(μ3-O)]+ as the salt [Cp3Mo3(μ-CO)3(CO)3(μ3-O)][CpMo(CO)3InCl3] (3). The compounds were characterized by elemental analysis, spectroscopic data and X-ray structure analysis. Compound 2 crystallizes in the orthorhombic space group P212121 with a = 1006.0(3), b = 1244.6(4) and c = 1600.8(5) pm, V = 2004.3 x 106 pm3, Z = 4. Compound 3 crystallizes in the monoclinic space group P 21/m with a = 874.4(8), b = 1407(1) and c = 1500(1) pm, β = 92.95(6) , V = 1843 × 106 pm3, Z = 2.

Steric Modification of Metal-Phosphorus Bond Lengths: the Preparation, Characterization and CrystalStructures of mer-trans-(PPri3)2(Pme2Ph)-Cl-cis-H2IrIII(1) and mer-trans-(PPri3)2(PMe2Ph)H3IrIII

1995 ◽  
Vol 48 (6) ◽  
pp. 1183 ◽  
Author(s):  
EJ Ditzel ◽  
GB Robertson
Keyword(s):  
Chloride Content ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Steric Crowding ◽  
Unit Increase

The syntheses and subsequent characterization of the complexes mer -trans-(PPri3)2(Pme2Ph)-Cl-cis-H2IrIII(1) and mer-trans-(PPri3)2(PMe2Ph)H3IrIII (2) by n.m.r. and by low temperature (153�5 K) X-ray diffraction analyses are reported. Crystals of (1) are monoclinic, space group P21/c with a 19.277(2), b 9.020(1), c 17.657(2) Ǻ, β 101.40(1)° and Z 4. Crystals of (2) are orthorhombic, space group P212121, with a 19.373(3), b 18.724(2), c 8.113(1) Ǻ and Z 4. Full-matrix least-squares analyses converged with R = 0.027 and wR = 0.031 for (1) (3243 reflections), and R = 0.030 and wR = 0.038 for (2) (2892 reflections). Consistent with previous observation, the unit increase in chloride content (in place of hydride) in (1) is accompanied by a global lengthening of 0.036 Ǻ (av.) in the Ir -P bond lengths cf. those in (2). Also, because of increased steric crowding (two PPri3 ligands in place of two Pme2Ph), the Ir-PMe2Ph bond in (1) is 0.019(2) Ǻ longer than the chemically equivalent bond in mer-(PMe2Ph)3Cl-cis-H2IrIII. In previously reported complexes in this series metrically similar increases in Ir-PMe2Ph distances result from the replacement of just one Pme2Ph ligand by PPri3.

Synthesis and characterization of homoleptic ruthenium(II) imidazole complexes, and a carbonyl species derived by CO abstraction from DMF

1998 ◽  
Vol 76 (10) ◽  
pp. 1379-1388 ◽  
Author(s):  
Ian R Baird ◽  
Steven J Rettig ◽  
Brian R James ◽  
Kirsten A Skov
Keyword(s):  
Ambient Temperature ◽  
Least Squares ◽  
Key Words ◽  
Elemental Analysis ◽  
Synthesis And Characterization ◽  
Full Matrix ◽  
Space Group ◽  
X Ray ◽  
Imidazole Complexes

[Ru(II)(L)6]2+ complexes were synthesized from [Ru(DMF)6][CF3SO3]3; DMF = dimethylformamide, L = imidazole (Im), N-methylimidazole (NMeIm) and 5-methylimidazole (5MeIm). The 2-methylimidazole complex trans-[Ru(CO)(DMF)(2MeIm)4][CF3SO3]2 (4) was also synthesized via a reaction involving abstraction of CO from DMF; 4 loses CO reversibly at ambient temperature to form [Ru(DMF)(2MeIm)4][CF3SO3]2 (5), and the DMF can be removed to generate a [Ru(CF3SO3)x(2MeIm)4][CF3SO3]y species (x = 2, y = 0, or x = 1 = y), containing coordinated triflate. The complexes were characterized by elemental analysis, conductivity, UV-vis, NMR, and IR spectroscopies. The structures of [Ru(Im)6][CF3SO3]2 (1), [Ru(NMeIm)6][CF3SO3]2 (2), and [Ru(5MeIm)6][CF3SO3]2 (3) were established by X-ray crystallographic analyses. Crystals of 1, are triclinic, a = 7.4010(6), b = 9.9846(15), c = 11.275(2) Å, α = 113.469(5), β = 92.419(2), γ = 94.737(2)°, Z = 1, space group P1 ; those of 2, are trigonal, a = 11.558(2), c = 8.109(3) Å, Z = 1, space group P3; and those of 3, are trigonal, a = 12.6547(4), c = 20.4078(12) Å, Z = 3, space group R3. The structures were solved by Patterson methods and refined by full-matrix least-squares procedures to R(F) = 0.029, 0.034, and 0.034 (R w (F2) = 0.055, R w (F) = 0.031, and R w (F2) = 0.058), respectively. Key words: hexakis(imidazole)ruthenium(II) triflates, crystal structures, CO abstraction.

scholarly journals Synthesis and X-Ray Crystal Structure of (1E)-1-(4-Chlorophenyl)-N-hydroxy-3-(1H-imidazol-1-yl)propan-1-imine

2013 ◽  
Vol 2013 ◽  
pp. 1-4 ◽  
Author(s):  
Mohamed I. Attia ◽  
Hazem A. Ghabbour ◽  
Maha S. Almutairi ◽  
Soraya W. Ghoneim ◽  
Hatem A. Abdel-Aziz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Antifungal Agents ◽  
Synthesis And Characterization ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Hydrogen Bonding Interactions

Synthesis and characterization of (1E)-1-(4-chlorophenyl)-N-hydroxy-3-(1H-imidazol-1-yl)propan-1-imine (4) are reported. X-ray crystal structure of the title oxime4confirmed its assigned (E)-configuration. The compound crystallizes in the monoclinic space groupP21/cwitha=13.4292(3) Å,b=8.8343(2) Å,c=11.1797(3) Å,α=90°,β=108.873(2)°,γ=90°,V=1255.03(5) Å3, andZ=4. The molecules are packed in crystal structure by weak intermolecularO–H⋯Nhydrogen bonding interactions. Compound4is a useful intermediate for the synthesis of new imidazole-containing antifungal agents.

Synthesis and characterization of PbBaGeO4

2015 ◽  
Vol 70 (6) ◽  
pp. 435-440 ◽  
Author(s):  
Lucas L. Petschnig ◽  
Hubert Huppertz
Keyword(s):  
Spectroscopic Data ◽  
Barium Carbonate ◽  
Structural Data ◽  
Structure Type ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Raman Spectroscopic

AbstractPbBaGeO4 was prepared by high-temperature solid-state synthesis at 900 °C in a platinum crucible from lead(II) oxide, barium carbonate, and germanium(IV) oxide. This compound crystallizes with the BaNdGaO4 structure type in the orthorhombic space group P212121 (no. 19). The structure was refined from single-crystal X-ray diffraction data: a = 1021.6(2), b = 763.4(2), c = 618.1(2) pm, V = 482.1(2) Å3, and residuals of R1 = 0.0373 and wR2 = 0.0730 for all data. Next to structural data, Raman spectroscopic data of PbBaGeO4 are reported.

Strukturuntersuchungen an Diaryldichalkogeniden: Die Molekülstrukturen von [2,4,6-(CF3)3C6H2S]2,[2,4,6-Me3C6H2Te]2 und [2-Me2N-4,6-(CF3)2C6H2Te]2 / Structural Investigations of Diaryl Dichalcogenides: The Molecular Structures of [2,4,6-(CF3)3C6H2S]2, [2,4,6-Me3C6H2Te]2 and [2-Me2N-4,6-(CF3)2C6H2Te]2

1992 ◽  
Vol 47 (3) ◽  
pp. 305-309 ◽  
Author(s):  
Anja Edelmann ◽  
Sally Brooker ◽  
Norbert Bertel ◽  
Mathias Noltemeyer ◽  
Herbert W. Roesky ◽  
...  
Keyword(s):  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Structural Investigations ◽  
Space Group ◽  
X Ray

Abstract The Molecular Structures of [2,4,6-(CF3)3C6H2S]2 (1) [2,4,6-Me3C6H2Te]2 and [2-Me2N-4,6-(CF3)2C6H2Te]2 (3) have been determined by X-ray diffraction. Crystal data: 1: orthorhombic, space group P212121, Z = 4, a = 822.3(2), b = 1029.2(2), c = 2526.6(5) pm (2343 observed independent reflexions, R = 0.042); 2: orthorhombic, space group Iba 2, Z = 8, a = 1546.5(2), b = 1578.4(2), c = 1483.9(1) pm (2051 observed independent reflexions, R = 0.030); 3: monoclinic, space group P 21/c, Z = 4, a = 1118.7(1), b = 1536.5(2), c = 1492.6(2) pm, β = 98.97(1)° (3033 observed independent reflexions, R = 0.025).

The Crystal and Molecular Structures of Two Modifications of cis-Dichloro-mer-tris-(dimethylphenylphosphine)hydridoiridium(III)

1988 ◽  
Vol 41 (3) ◽  
pp. 283 ◽  
Author(s):  
GB Robertson ◽  
PA Tucker
Keyword(s):  
Heavy Atom ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Metal Ligand ◽  
Ligand Bond

The structures of two crystalline modifications of mer -(Pme2Ph)3H-cis-Cl2IrIII, (1), have been determined from single-crystal X-ray diffraction data. Modification (A) is monoclinic, space group P21/c with a 12.635(1), b 30.605(3), c 14.992(2)Ǻ, β 110.01(2)° and Z = 8. Modification (B) is orthorhombic, space group Pbca with a 27.646(3), b 11.366(1), c 17.252(2)Ǻ and Z = 8. The structures were solved by conventional heavy atom techniques and refined by full-matrix least- squares analyses to conventional R values of 0.037 [(A), 8845 independent reflections] and 0.028 [(B), 5291 independent reflections]. Important bond lengths [Ǻ] are Ir -P(trans to Cl ) 2.249(1) av. (A) and 2.234(1) (B), Ir -P(trans to PMe2Ph) 2.339(2) av. (A) and 2.344(1), 2.352(1) (B), Ir-Cl (trans to H) 2.492(2), 2.518(2) (A) and 2.503(1) (B) and Ir-Cl (trans to PMe2Ph)2.452(2) av. (A) and 2.449(1)(B). Differences in chemically equivalent metal- ligand bond lengths emphasize the importance of non-bonded contacts in determining those lengths.

scholarly journals Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Applications

Inorganics ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 97 ◽  
Author(s):  
Marie Gaschard ◽  
Farzaneh Nehzat ◽  
Thomas Cheminel ◽  
Bruno Therrien
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
General Formula ◽  
Structure Analysis ◽  
White Light ◽  
Light Irradiation ◽  
Synthesis And Characterization ◽  
X Ray

The synthesis and characterization of three metalla-rectangles of the general formula [Ru4(η6-p-cymene)4(μ4-clip)2(μ2-Lanthr)2][CF3SO3]4 (Lanthr: 9,10-bis(3,3’-ethynylpyridyl) anthracene; clip = oxa: oxalato; dobq: 2,5-dioxido-1,4-benzoquinonato; donq: 5,8-dioxido-1,4-naphthoquinonato) are presented. The molecular structure of the metalla-rectangle [Ru4(η6-p-cymene)4(μ4-oxa)2(μ2-Lanthr)2]4+ has been confirmed by the single-crystal X-ray structure analysis of [Ru4(η6-p-cymene)4(μ4-oxa)2(μ2-Lanthr)2][CF3SO3]4 · 4 acetone (A2 · 4 acetone), thus showing the anthracene moieties to be available for reaction with oxygen. While the formation of the endoperoxide form of Lanthr was observed in solution upon white light irradiation, the same reaction does not occur when Lanthr is part of the metalla-assemblies.

Synthesis and characterization of a uranium oxide hydrate framework with Sr(II) ions: Structural insights and mixed uranium valences

2022 ◽  
Author(s):  
Kim Lu ◽  
Yingjie Zhang ◽  
Tao Wei ◽  
Timothy Ablott ◽  
Thanh Ha Nguyen ◽  
...  
Keyword(s):  
Uranium Oxide ◽  
Mixed Valence ◽  
Synthesis And Characterization ◽  
Monoclinic Space Group ◽  
Spectroscopic Techniques ◽  
Space Group ◽  
Oxide Hydrate ◽  
Structural Insights

A mixed-valence uranium oxide hydrate framework with Sr2+ ions (UOF-Sr2) was synthesized hydrothermally and characterized with multiple structural and spectroscopic techniques. Compound UOF-Sr2 crystallizes in monoclinic space group C2/c, having...

Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Marcin Rojkiewicz ◽  
Piotr Kuś ◽  
Maria Książek ◽  
Joachim Kusz
Keyword(s):  
Chemical Structure ◽  
Crystallographic Data ◽  
New Psychoactive Substances ◽  
Monoclinic Space Group ◽  
Psychoactive Substances ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Analytical Laboratories

Cathinones belong to a group of compounds of great interest in the new psychoactive substances (NPS) market. Constant changes to the chemical structure made by the producers of these compounds require a quick reaction from analytical laboratories in ascertaining their characteristics. In this article, three cathinone derivatives were characterized by X-ray crystallography. The investigated compounds were confirmed as: 1-[1-(4-methylphenyl)-1-oxohexan-2-yl]pyrrolidin-1-ium chloride (1, C17H26NO+·Cl−, the hydrochloride of 4-MPHP), 1-(4-methyl-1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride (2; C16H24NO+·Cl−, the hydrochloride of α-PiHP) and methyl[1-(4-methylphenyl)-1-oxopentan-2-yl]azanium chloride (3; C13H20NO+·Cl−, the hydrochloride of 4-MPD). All the salts crystallize in a monoclinic space group: 1 and 2 in P21/c, and 3 in P21/n. To the best of our knowledge, this study provides the first detailed and comprehensive crystallographic data on salts 1–3.

Titan(IV)-Fulvalenkomplexe. Darstellung und Struktur von [CpTiPh2l2(C10H8) / Titanium(IV) Fulvalene Complexes. Preparation and Structure of [CpTiPh2]2(C10H8)

1993 ◽  
Vol 48 (5) ◽  
pp. 603-607 ◽  
Author(s):  
Ulf Thewalt ◽  
Thomas Wöhrle
Keyword(s):  
Structure Analysis ◽  
Crystal Data ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The green insoluble TiIV compound which is obtained by treating titanocene with HC1 reacts with PhLi to yield the fulvalene-bridged compound [CpTiPh2]2(C10Hg) 3(Ph). An X-ray structure analysis of 3(Ph) shows, that the Ti atoms are in a trans arrangement with respect to the fulvalene group. Crystal data for 3(Ph) are as follows: C44H38Ti2, orthorhombic, space group P212,1 21, with a = 11,385(2), b = 14,510(2), c = 19,489(4) Å, Z = 4. The crystals exhibit enantiomorphism.

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