Synthesis and X-ray structure determination of the Ir–Ag–Ir donor–acceptor metal–metal bonded complex [{(η5-C5Me5)(CO)2Ir}2Ag][BF4]

1989 ◽  
Vol 67 (11) ◽  
pp. 1832-1836 ◽  
Author(s):  
Frederick W. B. Einstein ◽  
Richard H. Jones ◽  
Xiaoheng Zhang ◽  
Derek Sutton
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Title Complex ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Metal Metal ◽  
Donor Acceptor ◽  
Silver Metal

The title complex (2) has been synthesized from the reaction of (η5-C5Me5)Ir(CO)2 (1) with AgBF4. Complex 2 crystallizes in the monoclinic space group P21/c with a = 12.355(2) Å, b = 13.713(2) Å, c = 16.672(3) Å, β = 97.70(1)°, and Z = 4. The structure was solved by using 3131 observed reflections (I ≥ 2.5σ(I)) in the range 0° < 2θ < 50° to final discrepancy indices of RF = 0.032 and RwF = 0.038. The cation may be described as consisting of two molecules of 1 bound to Ag+ by donor–acceptor Ir → Ag bonds. The Ir—Ag—Ir skeleton is nearly linear (angle 173.67(6)°). The Ag—Ir bond lengths are equal (2.659(1) Å), and the two molecules of 1 are disposed mutually trans, to give the cation approximate (noncrystallographic) C2h symmetry. Keywords: complex, iridium, silver, metal-metal bond, X-ray, crystal, structure, carbonyl, donor-acceptor, pentamethylcyclopentadienyl.

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

scholarly journals X-Ray crystal structure of [(?-H)Os2 (CO)4 (SnPh3)2 (?-HSnPh2) (?-dppf)] (dppf = 1,1´-bis (Diphenylphosphino) ferrocene

2014 ◽  
Vol 38 (1) ◽  
pp. 97-101
Author(s):  
Jagodish C Sarker ◽  
Md Saifur Rahman ◽  
Shariff E Kabir ◽  
Tasneem A Siddiquee
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Solid State ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Bimetallic Cluster ◽  
Space Group ◽  
X Ray ◽  
Academy Of Sciences

The solid-state molecular structure determination of the bimetallic osmium-tin compound [(?-H)Os2(CO)4(SnPh3)2(?-HSnPh2)(?-dppf)] (1) was carried out to determine the relative orientationof the coordinated ligands. Compound 1 crystallizes in the monoclinic space group P 21/c with a =22.366(7), b = 14.217(4), c = 25.213(8) Å, ? = 98.865(7)°, Z = 8 and V = 7921(4) Å3. It is a 34-electron bimetallic cluster with the Os-Os edge concomitantly bridged by a dppf and two HSnPh2 ligands DOI: http://dx.doi.org/10.3329/jbas.v38i1.20218 Journal of Bangladesh Academy of Sciences, Vol. 38, No. 1, 97-101, 2014

A study on α-RuCl3 crystal structure by scanning tunneling microscopy

1989 ◽  
Vol 47 ◽  
pp. 30-31
Author(s):  
H.-J. Cantow ◽  
H. Hillebrecht ◽  
S. Magonov ◽  
H. W. Rotter ◽  
G. Thiele
Keyword(s):  
Crystal Structure ◽  
Density Distribution ◽  
Scanning Tunneling Microscopy ◽  
Electron Density ◽  
Structure Determination ◽  
Electron Density Distribution ◽  
Scanning Tunneling ◽  
Monoclinic Space Group ◽  
Tunneling Microscopy ◽  
X Ray

From X-ray analysis, the conclusions are drawn from averaged molecular informations. Thus, limitations are caused when analyzing systems whose symmetry is reduced due to interatomic interactions. In contrast, scanning tunneling microscopy (STM) directly images atomic scale surface electron density distribution, with a resolution up to fractions of Angstrom units. The crucial point is the correlation between the electron density distribution and the localization of individual atoms, which is reasonable in many cases. Thus, the use of STM images for crystal structure determination may be permitted. We tried to apply RuCl3 - a layered material with semiconductive properties - for such STM studies. From the X-ray analysis it has been assumed that α-form of this compound crystallizes in the monoclinic space group C2/m (AICI3 type). The chlorine atoms form an almost undistorted cubic closed package while Ru occupies 2/3 of the octahedral holes in every second layer building up a plane hexagon net (graphite net). Idealizing the arrangement of the chlorines a hexagonal symmetry would be expected. X-ray structure determination of isotypic compounds e.g. IrBr3 leads only to averaged positions of the metal atoms as there exist extended stacking faults of the metal layers.

The protonation of the ethylenediphosphinetetraacetate anion and the crystal structure of the bis (hydrogen bromide) of ethylenediphosphinetetraacetic acid

1981 ◽  
Vol 46 (12) ◽  
pp. 3063-3073 ◽  
Author(s):  
Jana Podlahová ◽  
Bohumil Kratochvíl ◽  
Vratislav Langer ◽  
Josef Šilha ◽  
Jaroslav Podlaha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Free Acid ◽  
Hydrogen Bromide ◽  
Carboxyl Groups ◽  
Spectroscopic Methods ◽  
X Ray ◽  
Partial Formation

The equilibria and mechanism of addition of protons to the ethylenediphosphinetetraacetate anion (L4-) were studied in solution by the UV, IR, 1H and 31P NMR spectroscopic methods. A total of six protons can be bonded to the anion. They are added stepwise, first with partial formation of zwitterions containing P-H bonds, which then dissociate with formation of the free acid, H4L, where all four protons are bonded in carboxyl groups. The formation of zwitterions is strongly dependent on the concentration. In the final stage, the acid bonds two additional protons to form the bis-phosphonium cation, H6L2+. A number of isostructural salts containing this cation, H4L.2 HX (X = Cl, Br, I), have been prepared. The X-ray crystal structure determination of the bromide confirmed the expected arrangement. The bromide crystals are monoclinic, a = 578.2, b = 1 425.0, c = 1 046.7 pm, β = 103.07° with a space group of P21/c, Z = 2. The final R factor was 0.059 based on 1 109 observed reflections. The structure consists of H6L2+ cations containing protons bonded to phosphorus atoms (P-H distance 134 pm) and of bromide anions, located in gaps which are also sufficiently large for I- anions in the isostructural iodide. The interbonding of phosphonium cations proceeds through hydrogen bonds, C-OH...O=C, in which the O...O distance is 275.3 pm.

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

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.

Crystal structure determination of solar cell materials: Cu2ZnSnS4 thin films using X-ray anomalous dispersion

2012 ◽  
Vol 524 ◽  
pp. 22-25 ◽  
Author(s):  
Hiroshi Nozaki ◽  
Tatsuo Fukano ◽  
Shingo Ohta ◽  
Yoshiki Seno ◽  
Hironori Katagiri ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thin Films ◽  
Solar Cell ◽  
Structure Determination ◽  
Anomalous Dispersion ◽  
Crystal Structure Determination ◽  
X Ray
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