[TcCl(CS)(dppe)2]·C6H6

2000 ◽  
Vol 57 (1) ◽  
pp. m23-m24 ◽  
Author(s):  
Jeffrey C. Bryan ◽  
Anthony K. Burrell ◽  
Gregory J. Kubas
Keyword(s):  
Title Compound ◽  
Multiple Bond ◽  
Benzene Solvate ◽  
Bond Character

The title compound, chlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P′](thiocarbonyl-C)technetium benzene solvate, [TcCl(C46H42P4)(CS)]·C6H6, was obtained as one of two Tc-containing products isolated from the reaction between CS2and the electron-deficient complex [TcCl(dppe)2], where dppe is 1,2-ethanediylbis(diphenylphosphine). The structure exhibits an unusually short Tc—C distance [1.819 (6) Å], suggesting some multiple-bond character.

scholarly journals 3-Phenyl-N,N,N′,N′-tetramethyl-1-ethyne-1-carboximidamidium bromide

2012 ◽  
Vol 68 (6) ◽  
pp. o1812-o1812 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner
Keyword(s):  
Double Bond ◽  
Title Compound ◽  
Triple Bond ◽  
Positive Charge ◽  
Bond Distance ◽  
Double Bond Character ◽  
Acetylenic Bond ◽  
Compound C ◽  
Bond Character

The reaction of 3,3,3-tris(dimethylamino)-1-phenylprop-1-yne with bromine in pentane yields the title compound, C13H17N2 +·Br−. The acetylenic bond distance [1.197 (2) Å] is consistent with a C[triple-bond]C triple bond. The amidinium C=N bonds [1.325 (2) and 1.330 (2) Å] have double-bond character and the positive charge is delocalized between the two dimethylamino groups.

Multiple-bond character in Cp3U:CHPMe3: first low-temperature neutron diffraction analysis of a uranium organometallic complex

1990 ◽  
Vol 9 (3) ◽  
pp. 694-697 ◽  
Author(s):  
Raymond C. Stevens ◽  
Robert Bau ◽  
Roger E. Cramer ◽  
Dawood Afzal ◽  
John W. Gilje ◽  
...  
Keyword(s):  
Low Temperature ◽  
Neutron Diffraction ◽  
Diffraction Analysis ◽  
Multiple Bond ◽  
Organometallic Complex ◽  
Neutron Diffraction Analysis ◽  
Bond Character

{5-[4′-(2,2,5,5-Tetramethyl-3-pyrroline-1-oxyl-3-carbonyl)biphenyl-4-ylethynyl]-2,3,7,8,12,13,17,18-octaethylporphyrinato}copper(II) benzene solvate

2006 ◽  
Vol 62 (7) ◽  
pp. m1609-m1610 ◽  
Author(s):  
Michael Bolte
Keyword(s):  
Title Compound ◽  
Ring System ◽  
Porphyrin Ring ◽  
Compound C ◽  
Benzene Solvate ◽  
Solvent Molecules

The title compound, C59H64CuN5O3·C6H6, features an essentially planar porphyrin ring system, with the Cu atom located in the plane and showing equal Cu—N distances. The space between the molecules is occupied by benzene solvent molecules.

scholarly journals N′′-(4-Methoxyphenyl)-N,N,N′-trimethyl-N′-phenylguanidine

2014 ◽  
Vol 70 (4) ◽  
pp. o460-o460 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Wolfgang Frey ◽  
Willi Kantlehner
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Planar Geometry ◽  
Single Bond ◽  
Bond Lengths ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Bond Character

In the title compound, C17H21N3O, the C—N bond lengths in the guanidine unit are 1.2889 (19), 1.3682 (19) and 1.408 (2) Å, indicating double- and single-bond character. The N—C—N angles are 115.10 (13), 119.29 (15) and 125.61 (14)°, showing a deviation of the CN3plane from an ideal trigonal–planar geometry. In the crystal, non-classical C—H...O hydrogen bonds between methyl H atoms and methoxy O atoms are present, generating centrosymmetric dimers running in the [101] direction.

scholarly journals Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Georg Knobloch ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Double Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Charge Delocalization ◽  
Iodide Ions ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Methylene Groups ◽  
Bond Character

The asymmetric unit of the title compound, 3(C13H24N3)+[Bi2I9]3−, comprises two cations and one half of a [Bi2I9]3−ion. The C—N bond lengths of the CN3units in both cations range from 1.336 (3) to 1.364 (5) Å, indicating partial double-bond character pointing towards charge delocalization within the NCN planes. All five-membered rings adopt an envelope conformation with the C atoms as the flap. One of the pyrrolidine rings (cation I) is disordered over two alternative envelope conformations. Two sets of positions were found for two of the methylene groups with an occupancy ratio of 0.757 (10):0.243 (10). The second disordered pyrrolidine moiety (cation II) is disordered around a twofold rotation axis and exhibits two half-occupied symmetry equivalent counterparts. The two BiIIIions are coordinated by six iodide ions in a distorted octahedral manner, with the Bi–I bond lengths ranging from 2.9544 (2) to 3.2414 (2) Å. Two [BiI6]3−octahedra are fused together through face-sharing, forming a dinuclear [Bi2I9]3−unit. The bond lengths of bismuth to the terminal iodides [2.9544 (2)–2.9889 (2) Å] are shorter than the bridging ones [3.1450 (2)–3.2414 (2) Å].

scholarly journals An iridium complex with an unsupported Ir—Zn bond: diiodido(η5-pentamethylcyclopentadienyl)bis(trimethylphosphane)iridiumzinc(Ir—Zn) benzene hemisolvate

2019 ◽  
Vol 75 (12) ◽  
pp. 1824-1827
Author(s):  
Fioralba Taullaj ◽  
Alan J. Lough ◽  
Ulrich Fekl
Keyword(s):  
Title Compound ◽  
Bond Distance ◽  
Iridium Complex ◽  
Bimetallic Complex ◽  
Benzene Solvate

The title compound, [IrZnI2(C10H15)(C3H9P)2]·0.5C6H6 or [Cp*(PMe3)2Ir]-[ZnI2] (Cp* = cyclo-C5Me5) was obtained and characterized as its benzene solvate [Cp*(PMe3)2Ir]-[ZnI2]·0.5C6H6. The bimetallic complex in this structure contains the Lewis-acidic fragment ZnI2 bonded to the Lewis-basic fragment Cp*(PMe3)2Ir, with an Ir—Zn bond distance of 2.452 (1) Å. The compound was obtained by reacting [Cp*(PMe3)IrI2] with 2-Ad2Zn (2-Ad = 2-adamantyl), resulting in the reduction of the IrIII complex and formation of the IrI–ZnII adduct. The crystal studied was a twin by non-merohedry with a refined BASF parameter of 0.223 (1).

Sr3Al2Ge4, Ca10Al6Ge9 und Ca20Al6Ge13. Neue Aluminium-Germanide / Sr3Al2Ge4, Ca10Al6Ge9 and Ca20Al6Ge13. New Aluminium Germanides

2007 ◽  
Vol 62 (8) ◽  
pp. 1071-1082 ◽  
Author(s):  
Marco Wendorff ◽  
Caroline Röhr
Keyword(s):  
Small Deviation ◽  
Multiple Bond ◽  
Ternary Systems ◽  
Monoclinic Space Group ◽  
Band Structure Calculation ◽  
Total Density ◽  
Space Group ◽  
The One ◽  
Total Density Of States ◽  
Bond Character

In the ternary systems Ca-Al-Ge and Sr-Al-Ge three germanides with new structure types have been synthesized from stoichiometric ratios of the elements. Their crystal structures were determined using single crystal X-ray data. In the structure of Sr3Al2Ge4 (monoclinic, space group C2/m, a = 1267.6(4), b = 416.2(2), c = 887.4(3) pm, β = 110.37(2)°, Z = 2, R1 = 0.0354) Al-Ge sheets with Al in tetrahedral (i. e. Al−) and Ge in threefold ψ-tetrahedral (i. e. Ge−) coordination against Ge are present. Thus, the compound can be classified as an electron precise Zintl phase. This finding is verified by the result of a band structure calculation (within the FP-LAPW approach), that shows a distinct minimum of the total density of states at the Fermi level. The structure of Ca10Al6Ge9 (trigonal, space group R3̅m, a = 1398.45(14), c = 2107.4(3) pm, Z = 6, R1 = 0.0613) contains complicated sheets of trigonal planar building units [AlGe3] and [AlGe4] tetrahedra. The compound Ca20[Al3Ge6]2[Ge] (hexagonal, space group P63/m, a = 1600.9(2), c = 458.48(7) pm, Z = 1, R1 = 0.0282) shows two planar trimers of [AlGe3] triangles of formula [Al3Ge6] besides isolated Ge atoms (i. e. Ge4−). The overall electron count of the latter compounds, that contain trigonal planar coordinated Al atoms and considerable multiple bond character of the Al-Ge bonds, shows a very small deviation from the Zintl concept, comparable to the one observed in other aluminium-germanides like SrAlGe.

scholarly journals N,N,N′-Trimethyl-N′′-(4-nitrophenyl)-N′-phenylguanidine

2014 ◽  
Vol 70 (5) ◽  
pp. o516-o517 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Wolfgang Frey ◽  
Willi Kantlehner
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Cross Linking ◽  
Planar Geometry ◽  
Two Dimensional ◽  
Single Bond ◽  
Compound C ◽  
Dimensional Network ◽  
Bond Character

The C—N bond lengths in the guanidine unit of the title compound, C16H18N4O2, are 1.298 (2), 1.353 (2) and 1.401 (3) Å, indicating double- and single-bond character. The N—C—N angles are 115.81 (16), 118.90 (18) and 125.16 (18)°, showing a deviation of the CN3plane from an ideal trigonal–planar geometry. In the crystal, C—H...O hydrogen bonds are observed between the methyl- and aromatic-H atoms and nitro-O atoms. One H atom of the phenyl ring and of the NMe2group associate with the O atoms of the nitro group, giving chains along thea-andb-axis directions. Cross-linking of these two chains results in a two-dimensional network alongbc.

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