Different structural features of half-sandwich complexes of rhodium(I) containing the η5-1,2,4-triphosphacyclopentadienyl ring. Syntheses and31P n.m.r. spectra of [Rh(η5-C2R2P3)LL′][R = But, L = L′= PPh3,P(p-tolyl)3; L = CO, L′= PPh3; LL′= cyclo-octa-1,5-diene; R = adamantyl, L = PMe3,PPh3]; crystal and molecular structure of [Rh(η5-C2But2P3)(η4-C8H12)]

1988 ◽  
pp. 1475-1476 ◽  
Author(s):  
Rainer Bartsch ◽  
Peter B. Hitchcock ◽  
Timothy J. Madden ◽  
Mohamed F. Meidine ◽  
John F. Nixon ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Structural Features ◽  
Sandwich Complexes ◽  
Half Sandwich

The structural features of a tetrahedral 1,3-monothiolate complex: The crystal and molecular structure of Bis(ethyl 3-mercaptobut-2-enoato)zinc(II)

1977 ◽  
Vol 30 (5) ◽  
pp. 993 ◽  
Author(s):  
BF Hoskins ◽  
CD Pannan
Keyword(s):  
Molecular Structure ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Lone Pair ◽  
Structural Features ◽  
The Other ◽  
Zinc Atom ◽  
Monoclinic Space Group ◽  
Hydrogen Atoms ◽  
Mean Values

The crystal and molecular structure of bis(ethy 3-mercaptobut-2- enoato)zinc(II) has been determined by single-crystal X-ray diffraction techniques. Solved by conventional Patterson and Fourier methods the structure was refined by a least-squares method employing anisotropic thermal parameters to all non-hydrogen atoms to R and Rw values of 0.040 and 0.046 respectively. The complex crystallizes in the monoclinic space group P21/c with four molecules in a unit cell of dimensions a 11.107(1), b 18.239(2) and c 8.438(1) Ǻ and β 107.7(1)�. The intensities of 2274 independent and statistically significant [I ≥ 3σ(I)] reflections with θ values ≤ 70� were measured by counter methods using nickel- filtered Cu Kα radiation. The crystals comprise discrete monomeric molecules with the zinc atom bonded to two sulphur atoms and two oxygen atoms giving a coordination arrangement which is substantially distorted from an ideal tetrahedron. The mean values for the Zn-S and Zn-O bond distances are 2.247(1) and 2.007(3) Ǻ respectively and the average S-Zn-O intraligand bond angle is 99.25(8)�. The geometries of the ligands differ in two ways. Firstly, the two ethyl groups adopt differing conformations and secondly, while one ligand moiety is essentially planar with the zinc atom displaced about 0.1 Ǻ from that plane, the displaced atom in the other ligand is the carbon bonded to the sulphur atom and not the metal which is, in this instance, coplanar with the other members of the ring. Bond distances in each chelate ring indicate aromatic character with a lone pair of electrons on the ethoxy-oxygen participating in the delocalization.

Struktur und Magnetismus stabiler Radikalkation-Salze: Ν,N′-Diethylchinoxalinium Tetraphenylborat im Vergleich mit Pyrazinium- und Phenazinium-Analogen / Structure and Magnetism of Stable Cation Radical Salts: N,N′-Diethylquinoxalinium Tetraphenylborate as Compared with Pyrazinium and Phenazinium Analogues

1989 ◽  
Vol 44 (10) ◽  
pp. 1233-1238 ◽  
Author(s):  
H.-D. Hausen ◽  
Wolfgang Kaim ◽  
Andreas Schulz ◽  
Eberhard Roth
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Cation Radical ◽  
Structural Features ◽  
Alkyl Groups ◽  
Molecular Structure Analysis ◽  
Benzo Derivative ◽  
Quinoxaline Ring

Crystal and molecular structure analysis of N,N′-diethylquinoxalinium tetraphenylborate shows a virtually planar quinoxaline ring with 11 conjugated π electrons and approximately antiperiplanar ethyl groups. In comparison with the benzo-analogous phenazinium systems and the de-benzo derivative N,N′-diethylpyrazinium cation, the quinoxalinium species adopts an intermediate position in terms of intra- and intermolecular structural features. In particular, increasing benzanellation seems to favour a cation/anion approach for electrostatic reasons whereas the N—C bonds to the hyperconjugatively charge delocalizing alkyl groups increase due to peri interactions. Solid state magnetic and ESR measurements are compatible with the crystallographically determined structure.

Rhodium induced titanium–sulfur bond cleavage: crystal and molecular structure of ((COD)Rh(μ-SMe))2

1990 ◽  
Vol 68 (4) ◽  
pp. 565-569 ◽  
Author(s):  
Teresa A. Wark ◽  
Douglas W. Stephan
Keyword(s):  
Molecular Structure ◽  
Ligand Exchange ◽  
Crystal And Molecular Structure ◽  
Bond Cleavage ◽  
Structural Data ◽  
Structural Features ◽  
Monoclinic Space Group ◽  
Metal Metal ◽  
Early Late ◽  
Sulfur Bond

Reactions of Ti(III) and Ti(IV) thiolates with Rh complexes have been investigated. In the reaction of Cp2Ti(SMe)2 and [(COD)2Rh]BF4 or [(COD)Rh(sol)2]PF6, thiolate abstraction yields ((COD)Rh(μ-SMe))2, 1. Reaction of (Cp2Ti(μ-SMe))2 with ((COD)Rh(μ-Cl))2 results in ligand exchange affording (Cp2Ti(μ-Cl))2 and 1. The complex 1 crystallizes in the monoclinic space group P21/n, with a = 8.551(2) Å, b = 10.058(3) Å, c = 22.187(4) Å, β = 92.54(1)°, Z = 4, and V = 1906(1) Å3. The structural data show a relatively short approach between the Rh centres (2.948 Å) and between the bridging sulfur atoms (2.888 Å). The implications of these structural features in terms of metal–metal and sulphur–sulfur bonding are discussed. In addition, the implications of these results with respect to the formation of thiolato-bridged, early–late heterobimetallics is considered. Keywords: thiolate abstraction, rhodium thiolate bridged dimer.

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