The Crystal and Molecular Structure of cis-(Diethylenetriamine)molybdenum Tricarbonyl; the Dependence of Mo-C Bond Length on Bond Order

1965 ◽  
Vol 4 (3) ◽  
pp. 314-317 ◽  
Author(s):  
F. A. Cotton ◽  
R. M. Wing
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Bond Order ◽  
Crystal And Molecular Structure

Crystal and Molecular Structure of Tris(Ethane-1,2-Diamine)Osmium(III) Trifluoromethanesulfonate Monohydrate

1987 ◽  
Vol 40 (7) ◽  
pp. 1267 ◽  
Author(s):  
PA Lay ◽  
GM Mclaughlin ◽  
AM Sargeson
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Oxidation State ◽  
Bond Order ◽  
Crystal And Molecular Structure ◽  
Single Bond ◽  
Bond Lengths ◽  
Formal Oxidation State ◽  
Bite Angle ◽  
Diamine Ligands

The crystal and molecular structure of racemic [Os(en)3] (CF3SO3)3.H2O has been determined. The [Os(en)3]3+ ion adopts a le ξob configuration and has approximate C2 symmetry with an Os-N(av.) bond length of 2.11 � and a bite angle for the chelate of - 82�. The previously recorded structure of the [Os(en-H)2(en)]2+ ion in which two deprotonated ethane-1,2-diamine ligands adoptoa cis configuration of the two amido donors, and in which the OsIV -N( amido ) bonds (1.90 �) are much shorter than the Os-N(amine) bonds, 2.11 ( cis ), 2.19 (trans), along with the present structure indicates a bond order > 1 for the osmiumo amido bond. The normal Os-N bond lengths fall into well defined ranges OS-NR3 (2.11-2.14 �), Os=NR2- (~1.90 �),Os=NR2 (- 1.70 �) and Os=N3-(- 1.58-1.63 �). These single bond lengths are more affected by trans effects than the formal oxidation state of the osmium centre.

Crystal and Molecular Structure of the Copper(I)-thiolate-selenide Complex [Ph4P][Cu(SeS2CNC4H8)(S2CN2C4H8)] with an Unusual Se-S Bond

1999 ◽  
Vol 54 (10) ◽  
pp. 1313-1317 ◽  
Author(s):  
Qianfeng Zhang ◽  
Jinxi Chen ◽  
Maochun Hong ◽  
Xinquan Xin ◽  
Hoong-Kun Fun
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
A Cell

Reaction of a DMF solution of Cu(S2CNC4H8) with [Ph4P]2[WSe4] affords [Ph4P]2[WSe4- (CuS2CNC4H8)3] (1) and [Ph4P][Cu(SeS2CNC4H )(S2CN2C4H8)] (2) in which a Se atom from the decomposition of the WSe42- anion has reacted with the pyrrolidyldithiocarbamate (C4H8dtc) ligand anion to form the new ligand anion SeS2CNC4H8⊖. Complex 2 crystallizes with four formula units in the monoclinic space group P21/c in a cell of dimensions a = 10.5824(2), b = 18.7575(3), c = 18.3268(4) Å and ß = 109.0980(10)°. 6055 independent reflections above background were measured with a diffractometer and the structure was refined anisotropically to R =0.073. The anion contains a three-coordinated copper(I) atom. The C4H8dtc⊖ ligand is bonded to the Cu+ cation in a terminal fashion, while SeS2CNC4H8⊖ chelates the Cu+ cation. The Se-S bond length is 2.231 (4) Å.

The crystal and molecular structure of 4-Bromo-1,1,3,3,5,7,7,9,9-nonamethylbicyclo[4,4,0]pentaborophane

1975 ◽  
Vol 28 (6) ◽  
pp. 1187 ◽  
Author(s):  
GR Clark ◽  
GJ Palenik
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Bromine Atom ◽  
Chair Conformation ◽  
Ring System ◽  
Intensity Data ◽  
Internal Ring ◽  
Charge Delocalization ◽  
Cyclic System

Crystals of 4-bromo-1,1,3,3,5,7,7,9,9- nonamethylbicyclo[4,4,0]pentaborophane, C9H35B5P5Br, are monoclinic, with a = 9.502(3), b = 20.185(15), c = 13.604(4) Ǻ, β = 116.49(2)�. The space group is P21/c, with four molecules in the cell. Intensity data were collected by means of an automated diffractometer. The atomic positions have been determined by least-squares refinement of 2859 observed reflections. The final residual, R, is 0.077. The molecule contains a framework of alternat- ing boron and phosphorus atoms constituting a decalin-like ring system. The two cis-fused cyclo- hexane type rings are both in the chair conformation. The bromine atom is equatorially bonded to the boron atom in the 4-position. The Br-B bond length is 2.039(10) Ǻ. The average P-B and P-C distances are 1.943 and 1.828 Ǻ respectively. Average internal ring angles are 112.2� for P-B-P, and 113.6� for B-P-B. This geometry indicates only very slight charge delocalization in the cyclic system.

Kristall-und Molekülstruktur von N-(TricHorgermyl)-trimethylphosphinimin [Cl3Ge-N=PMe3]n, n = 1 und 2 / Crystal and Molecular Structure of N-(Trichlorogermyl)-trimethylphosphinimine [Cl3Ge-N=PMe3]n, n= 1 and 2

1978 ◽  
Vol 33 (5) ◽  
pp. 493-497 ◽  
Author(s):  
W. S. Sheldrick ◽  
D. Schomburg ◽  
W. Wolfsberger
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Centrosymmetric Dimer ◽  
Triclinic Space Group ◽  
Bond Lengths ◽  
Axial Ligands ◽  
Trigonal Bipyramidal ◽  
Coordinate Bond

Abstract N-(Trichlorogermyl)trimethylphosphinimine crystallizes in the triclinic space group P1̅ with a = 12.49(2), b = 12.54(3), c = 6.66(1) Å,a = 100.96(10),β = 91.45(14), γ = 102.77(15)°. The structure was solved by Patterson and difference syntheses and refined to R = 0.063 for 2867 independent reflections. In the unit cell there are two symmetry related monomers containing tetracoordinated Ge and one crystallographically centrosymmetric dimer with a planar four-membered [GeN]2 ring exhibiting trigonal-bipyramidal pentacoordinated Ge and trigonal N. Significant differences are observed in the bond lengths from pentacoordinated Ge to its equatorial and axial ligands: Ge-Neq 1.837(7), Ge-Nax 1.972(7), Ge-Cleq 2.176(2) and 2.170(2), Ge-Clax 2.345(3) Å. The Ge-Neq distance is similar to that observed in tetracoordinated derivatives [1.81-1.87 Å], whereas the Ge-Nax distance is 0.22 Å shorter than that observed for the axial N→Ge coordinate bond in hitherto known pentacoordinated derivatives [2.19-2.24 Å]. The very short Ge-N bond length of 1.737(8) Å in the monomer which is 0.07 Å shorter than in other tetracoordinated derivatives may be indicative of the involvement of a (p→d)π component.

Crystal and Molecular Structure of Benzylidenimine Disulfide

1974 ◽  
Vol 52 (17) ◽  
pp. 2985-2989
Author(s):  
James C. Barrick ◽  
Crispin Calvo ◽  
Fredric P. Olsen
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Molecular Geometry ◽  
Intensity Measure ◽  
Full Matrix ◽  
Sulfur Bond ◽  
Automatic Diffractometer ◽  
Nitrogen Bond

The crystal and molecular structure of benzylidenimine disulfide has been determined. Crystals are monoclinic with space group P21/c, Z = 4, a = 12.93(2), b = 5.554(9), c = 20.46(3) Å, and β = 112.5(2)°. A full matrix least squares refinement on 2304 unique reflections of positive intensity measure collected on a [Formula: see text] Automatic diffractometer produced a conventional R of 0.029. The molecular geometry is very similar to that in the corresponding tetra- and trisulfides with a fairly short sulfur–sulfur bond length of 2.033(2) Å and a fairly long sulphur–nitrogen bond length of 1.690(3) Å.

An Intermediate in the Conversion of an Acetylene to a Vinyl Derivative: The Crystal and Molecular Structure of trans-Chloromethylbis(trimethylarsine)-platinum(II) Hexafluorobut-2-yne

1972 ◽  
Vol 50 (14) ◽  
pp. 2276-2284 ◽  
Author(s):  
Brian W. Davies ◽  
Richard J. Puddephatt ◽  
Nicholas C. Payne
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Free Ligand ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Monodentate Ligand ◽  
X Ray ◽  
Trigonal Bipyramidal

The crystal and molecular structure of trans-chloromethylbis(trimethylarsine)platinum(II) hexafluorobut-2-yne has been determined from three dimensional X-ray diffraction data recorded by diffractometric methods. The structure has been refined by full-matrix least-squares methods on F using 1156 reflections to an agreement factor R = 0.077. The crystals are monoclinic, space group [Formula: see text] with a = 6.803(8), b = 14.93(2), c = 20.20(2) Å, β = 104.9(1)°, and Z = 4. The coordination of the platinum atom is trigonal bipyramidal, with the acetylene considered a monodentate ligand, and the two trimethylarsine ligands occupying the equatorial plane. The chlorine atom and the methyl ligand occupy the apical positions, with Pt—Cl and Pt—C distances of 2.47(1) Å and 2.10(4) Å, respectively. The long Pt—Cl bond length indicates the strong trans-influence of the methyl ligand. The observed C—C bond length of 1.32(4) Å in the acetylene ligand is lengthened from the value of 1.22(9) Å measured in the free ligand. The geometry of the coordinated ligand is discussed in terms of the bonding scheme proposed by Greaves etal.

Synthese der ersten quadratisch-planaren Vinyliden-Komplexe des Vaska-Typs. Kristall- und Molekülstruktur von trans-[RhCl(=C=CHMe)(PPri3)2] / Synthesis of the First Square-planar Vinylidene Complexes of the Vaska Type. Crystal and Molecular Structure of trans-[RhCl(=C=CHMe)(PPri3)2]

1988 ◽  
Vol 43 (6) ◽  
pp. 722-726 ◽  
Author(s):  
Helmut Werner ◽  
Francisco Javier Garcia Alonso ◽  
Heiko Otto ◽  
Justin Wolf
Keyword(s):  
Molecular Structure ◽  
Structural Analysis ◽  
Carbon Atom ◽  
Bond Length ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Rhodium Complexes ◽  
Vinylidene Complexes ◽  
Square Planar ◽  
Type Crystal

Square-planar vinylidene rhodium complexes trans-[RhCl( = C=CHR)(PPri3)2] (X-XII) are prepared either by isomerization of trans-[RhCl(RC≡CH)(PPri3)2] in hexane at 50 °C or by elimination of pyridine from RhHCl(C≡CR)(py)(PPri3)2 in benzene at room temperature. The Xray structural analysis of XI (R = CH3) reveals that the CI-Rh=C=C fragment is almost linear, and that the planes formed by these atoms and C3 (carbon atom of the CH3 substituent) and by these atoms and P1 , P2 are perpendicular to each other. The Rh = C bond length is surprisingly short (177.5(6) pm) and supports the assumption that vinylidenes like CO are strong π-acceptor ligands.

Crystal and Molecular Structure of Benzylidenimine Tetrasulfide, (C6H5CHN)2S4

1973 ◽  
Vol 51 (22) ◽  
pp. 3691-3696 ◽  
Author(s):  
James C. Barrick ◽  
Crispin Calvo ◽  
Fredric P. Olsen
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Least Squares ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Aromatic Rings ◽  
Intensity Measure ◽  
Full Matrix ◽  
Space Group

The structure of the title compound has been determined. Crystals are monoclinic with space group P21/a, Z = 4, a = 13.83(1), b = 19.66(2), c = 5.983(5) Å, β = 101.4(1)°, dcalcd = 1.404, dobs = 1.40(1). A full-matrix least-squares refinement on 1085 unique reflections of positive intensity measure produced a conventional R of 0.066. The spiral arrangement of the S4 chains (nearly generating a 31 axis) is such that the two aromatic rings are eclipsed. Alternation in bond length along the sulfur chain was observed, the long inner bond being 2.083(4) Å and the shorter outer bonds averaging 2.026(3) Å in length. No intermolecular non-bonding interactions involving sulfur were found.

The Crystal and Molecular Structure of trans-(Methyl)(but-2-yne)-bis(dimethylphenylphosphine)platinum(II) Hexafluorophosphate [(CH3)(H3CC≡CCH3)Pt(P(CH3)2]PF6

1973 ◽  
Vol 51 (21) ◽  
pp. 3477-3485 ◽  
Author(s):  
Brian W. Davies ◽  
Nicholas C. Payne
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Free Ligand ◽  
Platinum Atom ◽  
Mirror Plane ◽  
Methyl Carbon ◽  
Carbon Carbon Bond ◽  
Trans Methyl ◽  
The Mean

The crystal and molecular structure of trans-(methyl)(but-2-yne)bis(dimethylphenylphosphine)-platinum(II) hexafluorophosphate, [(CH3)(H3CC≡CCH3)Pt(P(CH3)2]PF6, has been determined from three dimensional X-ray diffraction data recorded by diffractometric methods. The structure has been refined by full-matrix least-squares methods on F using 1060 unique data to a conventional agreement factor R = 0.036. The crystals are orthorhombic, space group Pnma(D2h16), with a = 15.447(5), b = 15.344(4), c = 11.005(3) Å, and Z = 4. The coordination about the platinum atom is approximately square planar, if the acetylene is considered to be a unidentate ligand. There is crystallographic mirror symmetry imposed on the ions, such that the platinum atom, the methyl carbon atom, and the four carbon atoms of the acetylene ligand all lie on the mirror plane. The acetylene C≡C bond is approximately perpendicular (86.5(1.5)°) to the coordination plane of the platinum atom. The mean platinum–carbon(acetylene) bond length is 2.278(5) Å, and the mean angular departure from linearity of the ligand is 12(4)°. There is a small (156 cm−1) reduction of Vstr (C≡C) for the but-2-yne ligand upon coordination, and the acetylenic carbon–carbon bond length, 1.22(3) Å, is not significantly different from the value of 1.21(2) Å observed in the free ligand.

scholarly journals Crystal and molecular structure of 2,2,4,6,6-pentamethyl-5-benzoyl-4-(N-methylbenzamido)-1,3-diaza-2,4,6(Pv)-triphosphorin

1977 ◽  
Vol 55 (13) ◽  
pp. 2534-2539 ◽  
Author(s):  
Richard T. Oakley ◽  
Norman L. Paddock ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Full Matrix ◽  
Bond Lengths ◽  
Benzoyl Group ◽  
Electron Withdrawal ◽  
Related Compounds ◽  
Twist Boat

Crystals of 2,2,4,6,6-pentamethyl-5-benzoyl-4-(N-methylbenzamido)-1,3-diaza-2,4,6(Pv)-tri-phosphorin are triclinic, a = 13.375(1), b = 11.313(1), c = 7.925(1) Å, α = 107.72(1), β = 98.23(1), γ = 87.00(1)°, Z = 2, space group [Formula: see text]. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to a final R of 0.067 and Rw of 0.089 for 3954 reflections with. I ≥ 3σ(I) The P3N2C ring is nearly planar and has a conformation corresponding to a flattened version of the chair – twist boat. Bond lengths in the azaphosphorin ring, P—N, 1.579–1.614(2), and P—C, 1.752(3) and 1.777(3) Å, indicate conjugation with the C-benzoyl group. The exocyclic P—N bond length, 1.742(3) Å, is longer than those in related compounds as a result of competitive electron withdrawal from the N-benzoyl group. Other bond lengths (corrected for libration) are: mean P—Me, 1.796(4); C=O, 1.242(3) and 1.247(4); C—N, 1.472(3) and 1.369(4); mean C—C(phenyl), 1.391(10); other C(sp2)—C(sp2); 1.417–1.518(4) Å.

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