scholarly journals X-RAY MOLECULAR STRUCTURE OF A PYRIDYL-BRIDGED DINUCLEAR PALLADIUM COMPLEX,trans(P,N)-[PdBr(μ-C5H4N-C2,N)(PPh3)]2

1980 ◽  
Vol 9 (8) ◽  
pp. 913-914 ◽  
Author(s):  
Kazumi Nakatsu ◽  
Kenji Kinoshita ◽  
Hitoshi Kanda ◽  
Kiyoshi Isobe ◽  
Yukio Nakamura ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Palladium Complex ◽  
X Ray

scholarly journals Crystal structure of unsymmetrical α-diimine palladium(II) complex cis-[{ArN=C(Me)–(Et)C=NAr}PdCl2] [Ar = 2,6-(iPr)2C6H3]

2017 ◽  
Vol 73 (8) ◽  
pp. 1148-1150
Author(s):  
Shravan Kumar Ellandula ◽  
Cosmos Opoku Amoako ◽  
Joel T. Mague ◽  
Perumalreddy Chandrasekaran
Keyword(s):  
Molecular Structure ◽  
Palladium Complex ◽  
Crystal And Molecular Structure ◽  
Chelate Ring ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Diimine Ligand ◽  
Coordination Plane ◽  
N Vector

The unsymmetrical α-diimine ligand N-{2-[2,6-bis(propan-2-yl)phenylimino]pentan-3-ylidene}-2,6-bis(propan-2-yl)aniline, [ArN=C(Me)—(Et)C=NAr] [Ar = 2,6-(iPr)2C6H3], (I), and the corresponding palladium complex, cis-(N-{2-[2,6-bis(propan-2-yl)phenylimino]pentan-3-ylidene}-2,6-bis(propan-2-yl)aniline)dichloridopalladium(II) 1,2-dichloroethane monosolvate, [PdCl2(C29H42N2)]·C2H4Cl2 or cis[PdCl2{I}], (II), have been synthesized and characterized. The crystal and molecular structure of the palladium(II) complex have been established by single-crystal X-ray diffraction. The compound crystallized along with a 1,2-dichloroethane solvent of crystallization. The coordination plane of the PdII atom shows a slight tetrahedral distortion from square-planar, as indicated by the dihedral angle between the PdCl2 and PdN2 planes of 4.19 (8)°. The chelate ring is folded along the N...N vector by 7.1 (1)°.

Synthese und Kristallstrukturen der Palladium(II)-Komplexe cis- und trans-PdCl2[P(OSiMe3)3]2, {PdCl[PO(OSiMe3)2][P(OSiMe3)3]2} und (NMe2H2)2{Pd2Cl4[P4O5(OSiMe3)4]} / Synthesis und Crystal Structures of the Palladium(II) Complexes cis- and trans-PdCl2[P(OSiMe3)3]2, {PdCl[PO(OSiMe3)2][P(OSiMe3)3]2} and (NMe2H2)2{Pd2Cl4[P4O5(OSiMe3)4]}

1993 ◽  
Vol 48 (11) ◽  
pp. 1661-1671 ◽  
Author(s):  
Thorsten Gebauer ◽  
Gerlinde Frenzen ◽  
Kurt Dehnicke
Keyword(s):  
Molecular Structure ◽  
Room Temperature ◽  
Palladium Complex ◽  
Partial Hydrolysis ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Structure Determinations ◽  
Moisture Sensitive ◽  
Cis And Trans

The molecular complex PdCl2[P(OSiMe3)3]2 was obtained both as cis- (la) and trans- (lb) isomer from palladium(II) chloride with the equivalent amount of tris(trimethylsilyl)phosphite in a THF suspension at room temperature. With excess P(OSiMe3)3 the complex {PdCI[PO(OSiMe3)2][P(OSiMe3)3]2} (2) is formed with elimination of trimethylchlorosilane. By partial hydrolysis the anionic binuclear palladium complex(NMe2H2)2{Pd2Cl4[P4O5(OSiMe3)4]} (3) is generated from palladium(II) chloride and excess P(OSiMe3)3 in THF in the presence of dimethylamine. All complexes form colourless, moisture-sensitive crystals, which were characterized by X-ray structure determinations.1a: Space group C2/c, Z = 4,2973 observed unique reflections, R = 0.044. Lattice dimensions at —80°C: a =1052.9(2), b =1675.3(5), c = 2240.1(7) pm, β = 99.88(2)°. The compound has a molecular structure with cis-arrangement of the P(OSiMe3)3 groups with Pd—P bond lengths of 222.9 pm.1b: Space group P1̄, Z = 1, 3796 observed unique reflections, R = 0.053. Lattice dimensions at-70°C: a = 959.5(2), b = 998.3(2), c =1162.6(2) pm, α=86.99(3)°, β = 81.63(3)°, γ = 62.91(3)°. The compound has a molecular structure with trans-arrangement of the P(OSiMe3)3 groups with Pd—P bond lengths of 230.4 pm.2: Space group P212121, Z = 4,4444 observed unique reflections, R = 0.055. Lattice dimensions at —70°C: a =1050.0(2), b = 2090.5(3), c = 2357.8(6) pm. The complex has a molecular structure with trans-arrangement of the P(OSiMe3)3 groups with Pd — P bond lengths of 233.6 and 232.1 pm. The Pd—P bond length of the [PO(OSiMe3)2]- ligand is 224.8 pm.3: Space group P1̄, Z = 2,4762 observed unique reflections, R = 0.071. Lattice dimensions at —80°C: a = 1169.3(6), b = 1299.6(6), c = 1641.7(12) pm, α = 69.19(4)°, β = 87.37(5)°, γ = 80.01(4)°. In the dimeric anion {Pd2Cl4[P4O5(OSiMe3)4]}2- the two cis-PdCl2 units are bridged by the four phosphorus atoms of the [P4O5(OSiMe33)4]2- ligand with average Pd— P bond lengths of 221.5 pm.

The crystal and molecular structure of tris(pentamethylenedithiocarbamate) chromium(III)-chloroform (1 : 2)

1981 ◽  
Vol 46 (1) ◽  
pp. 6-19 ◽  
Author(s):  
Viktor Kettman ◽  
Ján Garaj ◽  
Jaroslav Majer
Keyword(s):  
Molecular Structure ◽  
Structural Analysis ◽  
Crystal And Molecular Structure ◽  
Analysis Method ◽  
Complex Molecules ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Cell Dimensions ◽  
Crustal Density ◽  
Unit Cell Dimensions

The crystal and molecular structure of [Cr(S2CN(CH2)5)3].2 CHCl3 was found by the X-ray structural analysis method. The value R 0.090 was found for 1 131 observed independent reflections. The substance crystallizes in a space group of symmetry P212121 with the following unit cell dimensions: a = 0.8675 (6), b = 1.815(2), c = 2.155(3) nm. The experimentally observed crustal density was 1.48 Mgm-3 and the value calculated for Z = 4 was 1.51 Mgm-3. The CrS6 coordination polyhedron has the shape of a trigonally distorted octahedron, where the D3 symmetry is a approximately retained. The degree of trigonal distortion expressed as the projection of the chelate S-Cr-S angle onto the plane perpendicular to the C3 pseudo axis is Φ = 41.7° (Φ = 60° for an octahedron). The skeleton of the structure formed by the complex molecules contains channels filled with chloroform molecules. The specific type of complex-chloroform interaction consists of the formation of hydrogen bonds of the chloroform protons with the fully occupied pπ-orbitals of the sulphur atoms in the coordination polyhedra. The low stability and crystal decomposition can be explained by loss of chloroform from the channels.

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

The X-Ray Molecular Structure of 1-(2′,4′-Dinitrophenyl)-1,2,3-triazole and the Problem of the Orthogonal Interaction Between a 'Pyridine-Like' Nitrogen and a Nitro Group

2005 ◽  
Vol 58 (11) ◽  
pp. 817 ◽  
Author(s):  
Glenn P. A. Yap ◽  
Fernando A. Jové ◽  
Rosa M. Claramunt ◽  
Dionisia Sanz ◽  
Ibon Alkorta ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nitro Group ◽  
Title Compound ◽  
Theoretical Calculations ◽  
X Ray

The structure of the title compound serves for a discussion about the topic of orthogonal interactions. This interaction, although weak, is important due to its peculiar geometry. Other examples from the Cambridge Crystallographic Database, together with theoretical calculations are reported.

scholarly journals Structural Characterization of Heterodinuclear ZnII-LnIII Complexes (Ln = Pr, Nd) with a Ring-Contracted H2valdien-Derived Schiff Base Ligand

2021 ◽  
Author(s):  
Shabana Noor ◽  
Richard Goddard ◽  
Fehmeeda Khatoon ◽  
Sarvendra Kumar ◽  
Rüdiger W. Seidel
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Structural Characterization ◽  
Schiff Base Ligand ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Imidazoline Ring

AbstractSynthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes with the formula [ZnLn(HL)(µ-OAc)(NO3)2(H2O)x(MeOH)1-x]NO3 · n H2O · n MeOH [Ln = Pr (1), Nd (2)] and the crystal and molecular structure of [ZnNd(HL)(µ-OAc)(NO3)2(H2O)] [ZnNd(HL)(OAc)(NO3)2(H2O)](NO3)2 · n H2O · n MeOH (3) are reported. The asymmetrical compartmental ligand (E)-2-(1-(2-((2-hydroxy-3-methoxybenzylidene)amino)-ethyl)imidazolidin-2-yl)-6-methoxyphenol (H2L) is formed from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation, resulting in a peripheral imidazoline ring. The structures of 1–3 were revealed by X-ray crystallography. The smaller ZnII ion occupies the inner N2O2 compartment of the ligand, whereas the larger and more oxophilic LnIII ions are found in the outer O2O2’ site. Graphic Abstract Synthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes (Ln = Pr, Nd) bearing an asymmetrical compartmental ligand formed in situ from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation are reported.

scholarly journals Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
X Ray Absorption ◽  
Ray Scattering

AbstractQuenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

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