The crystal structure of W(CO)5piperidine: Implications for photoreactivity of W(CO)5L complexes

1991 ◽  
Vol 69 (12) ◽  
pp. 2033-2037 ◽  
Author(s):  
Carol Moralejo ◽  
Cooper H. Langford ◽  
Peter H. Bird
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Key Words ◽  
Triplet Excitation ◽  
X Ray ◽  
Bond Lengths ◽  
Model Based ◽  
Equatorial Bond ◽  
Reverse Trend ◽  
Back Donation

The X-ray crystal structure of W(CO)5piperidine is reported and assignments are given for the LF and CT band of W(CO)5piperidine and W(CO)5pyridine. The [Formula: see text](axial), and [Formula: see text] (equatorial) bond lengths for W(CO)5pip are 2.330(5), 1,963(6), and 2.04(7), respectively. The longer [Formula: see text] bond length in W(CO)5pip compared to W(CO)5pyr corresponds to greater photoreactivity observed under LF triplet excitation for W(CO)5pip but cannot account for the reverse trend observed under LF singlet irradiation. The structure also fails to support a model based on differences in π back donation from W. It is concluded that differences between singlet and triplet photoreaction originate in the relative rates of radiationless decay. Key words: W(CO)5piperidine, photoreactivity, crystal structure.

Cis-2-telluro-1.3.2λ5.4λ3-diazadiphosphetidin - Kristallstruktur eines in Lösung fluktuierenden Redoxsystems / Cis-2-telhirium-1.3.2λ5.4λ3-diazadiphosphetidine - Crystal Structure of a Redox System Fluctuating in Solution

1978 ◽  
Vol 33 (6) ◽  
pp. 610-613 ◽  
Author(s):  
Siegfried Pohl
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Bond Length ◽  
Title Compound ◽  
Redox System ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Nitrogen Ring

Abstract The crystal structure of the title compound was determined from single crystal X-ray data. The compound crystallises in the orthorhombic space group Pnma. In contrast to the solution where fluctuating P-Te bonds have been established by NMR analyses the crystals contain isolated molecules with fixed P-Te bonds (bond length: 235.4 pm). The four-membered phosphorus nitrogen ring exhibits significant deviations from planarity. The P-N bond lengths were found to be 168.3 and 175.0 pm, respectively

The crystal and molecular structure of the copper(II) bis(dialyldithiocarbamate) complex

1984 ◽  
Vol 49 (10) ◽  
pp. 2210-2221 ◽  
Author(s):  
Eleonóra Kellö ◽  
Victor Kettmann ◽  
Ján Garaj
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
The Other ◽  
Tetragonal Pyramid ◽  
X Ray ◽  
Bond Lengths ◽  
Triclinic System ◽  
Bond Character

The crystal structure of {Cu[S2CN(C3H5)2]2}2 was solved by the single crystal method of X-ray structural analysis. The substance crystallized as a dimer in the triclinic system with space group of PI and latice parameters a = 1.0161 (4), b =0.9294(4), c = 1.0518(3) nm, α = 77.46(3), β = 77.10(3), γ = 89.02(3)°. The structure was refined by the least squares method to a final value of R = 4.9% using all the 1 713 observed reflections. The crystal structure consists of dimeric molecules, where each pair of centrosymmetrically dependent Cu atoms lies at a distance of 0.3742 nm. The coordination polyhedron of the Cu atom is a tetragonal pyramid, where the four sulphur atoms lie at distances of Cu-S1 0.2314, Cu-S2 0.2309, Cu-S3 0.2324, Cu-S4 0.2328 and are approximately in a place from which the Cu atoms lies at a distance of 0.026 nm. The fifth, longer bond, Cu-S'4 0.2888 nm forms the apex of the tetragonal pyramid. In the streochemistry of the dithiocarbamate ligands of the studied substances there are no marked differences in the bond lengths and corresponding angles compared with the values for the solvent structures of the other dialkyl-dtc complexes. The lengths of the sulphur-carbon bonds lie in the range from 0.170 to 0.173 nm and both lengths of the C(sp)2 - N(sp2) bonds equal to 0.134 and 0.133 nm indicate marked double bond character of the C-N bond. The S2CN ligand fragment is planar. In the alyl part of the ligand, the N-C bond lengths lie in the range 0.147-0.149 nm, the average C-C bond length is 0.149 nm and C=C bond length is 0.132 nm.

scholarly journals Dynamic Disorder of Fe3+ Ions in the Crystal Structure of Natural Barioferrite

Minerals ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 340 ◽  
Author(s):  
Arkadiusz Krzątała ◽  
Taras Panikorovskii ◽  
Irina Galuskina ◽  
Evgeny Galuskin
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
Barium Ferrite ◽  
Stacking Sequence ◽  
Dynamic Disorder ◽  
X Ray ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Equatorial Bond ◽  
The Mean

A natural barioferrite, BaFe3+12O19, from a larnite–schorlomite–gehlenite vein of paralava within gehlenite hornfels of the Hatrurim Complex at Har Parsa, Negev Desert, Israel, was investigated by Raman spectroscopy, electron probe microanalysis, and single-crystal X-ray analyses acquired over the temperature range of 100–400 K. The crystals are up to 0.3 mm × 0.1 mm in size and form intergrowths with hematite, magnesioferrite, khesinite, and harmunite. The empirical formula of the barioferrite investigated is as follows: (Ba0.85Ca0.12Sr0.03)∑1(Fe3+10.72Al0.46Ti4+0.41Mg0.15Cu2+0.09Ca0.08Zn0.04Mn2+0.03Si0.01)∑11.99O19. The strongest bands in the Raman spectrum are as follows: 712, 682, 617, 515, 406, and 328 cm−1. The structure of natural barioferrite (P63/mmc, a = 5.8901(2) Å, c = 23.1235(6) Å, V = 694.75(4) Å3, Z = 2) is identical with the structure of synthetic barium ferrite and can be described as an interstratification of two fundamental blocks: spinel-like S-modules with a cubic stacking sequence and R-modules that have hexagonal stacking. The displacement ellipsoids of the trigonal bipyramidal site show elongation along the [001] direction during heating. As a function of temperature, the mean apical Fe–O bond lengths increase, whereas the equatorial bond lengths decrease, which indicates dynamic disorder at the Fe2 site.

Preparation of Cr2(CO)8(NO)2 and X-ray crystal structures of Cr2(CO)8(NO)2 and Cr2(CO)9NO−. Stereochemical comparisons to Cr2(CO)102−

1991 ◽  
Vol 69 (12) ◽  
pp. 2136-2141 ◽  
Author(s):  
A. P. Masters ◽  
M. Parvez ◽  
T. S. Sorensen
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Key Words ◽  
Crystal Structures ◽  
Quantitative Yield ◽  
Space Group ◽  
X Ray ◽  
Metal Metal ◽  
Chromium Carbonyl ◽  
The One

Cr2(CO)8(NO)2 (1) has been prepared and characterized, and the crystal structure determined, along with that of the related salt Cr2(CO)9NO− monoanion (2) as the CH2Cl2-solvated PPN+ salt (where PPN+ denotes the (PPh3)2N+ monocation). Both 1 and 2 possess a metal–metal bonded structure analogous to that of Mn2(CO)10 and the electronically equivalent Cr2(CO)102− dianion. Although Cr2(CO)8(NO)2 (1) is slowly formed in poor yield from Cr(CO)4NO− and Cr(CO)4NOBr, it can be prepared in an almost quantitative yield by the one-electron oxidation of the monoanion with trityl hexafluorophosphate. The slowness of the former reaction makes Cr(CO)4NO− useful as a two-electron reductant of organohalide bonds. Triclinic crystals of 1 incorporate two distinct molecules in die [Formula: see text] space group, although the geometries of each are almost identical. Triclinic crystals of monoanion (2) also belong to the [Formula: see text] space group. The Cr—Cr bond length is 3.00–3.02 Å in 1 and 2.995 Å in 2, compared to 2.904 Å for the central Mn—Mn bond in Mn2(CO)10. Key words: chromium nitrosyl, chromium carbonyl, X-ray crystal structure, metalate anion, metal–metal dimer.

Notizen: Die Kristallstruktur des Rhenium-Tolankomplexes [ReCl4(PhC ≡ CPhXOPCl3)] / The Crystal Structure of the Rhenium-tolane Complex [ReCl4(PhC ≡ CPh)(OPCl3)]

1993 ◽  
Vol 48 (7) ◽  
pp. 1019-1022 ◽  
Author(s):  
Gerlinde Frenzen ◽  
Dorothea Wolff von Gudenberg ◽  
Kurt Dehnicke
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Oxygen Atom ◽  
Bond Length ◽  
Trans Position ◽  
X Ray ◽  
Bond Lengths ◽  
In Trans ◽  
Ray Methods ◽  
Ligand Bond

The crystal structure of [ReCl4(PhC = CPh)(OPCl3)] was solved with X-ray methods. Space group P1̄, Z = 2, 2085 observed unique reflections, R = 0.029. Lattice dimensions at -70°C: a = 857.0(2), b = 937.9(2), c = 1249.6(2) pm, α = 87.43(3)°, β = 83.48(3)°, γ = 89.80(3)°. [ReCl4(PhC ≡ CPh)(OPCl3)] has a molecular structure with the alkyne ligand bonded side-on (bond lengths Re-C 198.9(8) and 198.6(7) pm). The oxygen atom of the solvating POCl3 molecule is coordinated in trans position to the ReC2 unit of the alkyne ligand (bond length Re-O 226.7(5) pm).

Darstellung und Charakterisierung von Rubidiumhydrogencyanamid/Synthesis and Characterization of Rubidium Hydrogen Cyanamide

1999 ◽  
Vol 54 (11) ◽  
pp. 1375-1378 ◽  
Author(s):  
Michael Becker ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Liquid Ammonia ◽  
Synthesis And Characterization ◽  
Hydrogen Cyanamide ◽  
X Ray ◽  
Bond Lengths

The synthesis of RbHCN2 was carried out by reaction of cyanamide with rubidium amide in liquid ammonia. The crystal structure has been determinedo by x-ray powder methods (orthorhombic, P21,21,21, a = 7.299(1), b = 9.435(1), c = 9.420(1) Å; Z = 8). The anion is slightly bent (174°) and exhibits two different bond lengths (C-N: 1.17, HN-C: 1.31 Å).

scholarly journals Darstellung und Kristallstruktur von K2Sn2S5 und K2Sn2Se5 / Preparation and Crystal Structure of K2Sn2S5 and K2Sn2Se5

1992 ◽  
Vol 47 (2) ◽  
pp. 197-200 ◽  
Author(s):  
Kurt O. Klepp
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structure Type ◽  
Slow Cooling ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Equatorial Bond ◽  
Binary Compounds ◽  
R Factors ◽  
Distorted Trigonal Bipyramidal

K2Sn2S5 and K2Sn2Se5 were prepared by reacting stoichiometric powdered mixtures of the binary compounds K2S or K2Se with Sn and the corresponding chalcogen at 1070 K, followed by slow cooling of the melt. The two compounds are isostructural and crystallize with the Tl2Sn2S5 structure type, s.g. C 2/c, Z = 4 with a = 11.072(5) Å, b = 7.806(3)Å, c = 11.517(5)Å, β = 108.43(2)° for K2Sn2S5 and a = 11.613(5)Å, b = 8.189(3) Å, c = 11,897(6) Å, β = 108.28(2)° for K2Sn2Se5. The crystal structures were refined to conventional R-factors of 0.032 and 0.031, respectively. Sn-atoms are in a distorted trigonal-bipyramidal chalcogen coordination. The average equatorial bond lengths are Sn -S: 2.427 Å and Sn -Se: 2.552 Å , the axial ones are Sn -S: 2.600 Å and Sn -Se: 2.774 Å.

scholarly journals Über die Reaktion von Wolframhexachlorid mit Se4N2; Kristallstruktur von PPh4[WCl5(NSeCl)] / On the Reaction of Tungsten Hexachloride with Se4N2; Crystal Structure of PPh4[WCl5(NSeCl)]

1991 ◽  
Vol 46 (12) ◽  
pp. 1625-1628 ◽  
Author(s):  
Stefan Vogler ◽  
Werner Massa ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Structure Determination ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Tetraphenylphosphonium Chloride ◽  
Tungsten Hexachloride

The reaction of tungsten hexachloride with Se4N2 leads to [WCl4(NSeCl)]2, which reacts with pyridine to form [WCl4(NSeCl)Py], and with tetraphenylphosphonium chloride to form PPh4[WCl5(NSeCl)], which was characterized by an X-ray structure determination. Space group P21, Z = 2, 1657 observed unique reflections, R = 0.074, wR = 0.061. Lattice dimensions at —80 C: a = 710.7(1), b = 2217.9(4), c = 953.6(2) pm; β = 111.93(3) . The [WCl5(NSeCl)]- ion possesses an almost linear WNSe group with bond lengths WN = 188 pm, corresponding to a double bond, and NSe = 200 pm.

Nitrido-und Oxochlorokomplexe des Vanadiums(V); die Kristallstruktur von AsPh4 [V0C14] Nitrido and Oxochloro Complexes of Vanadium(V); the Crystal Structure of AsPh4[VOCl4]

1980 ◽  
Vol 35 (5) ◽  
pp. 522-525 ◽  
Author(s):  
Gisela Beindorf ◽  
Joachim Strähle ◽  
Wolfgang Liebelt ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Bond Length ◽  
Bond Angle ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Linear Arrangement ◽  
Space Group ◽  
X Ray ◽  
Complex Anions

The complexes AsPh4[Cl4V = N-Cl] and AsPh4[VOCl4] are prepared by the reaction of AsPh4Cl with Cl3VNCl and VOCl3, respectively. The IR spectra indicate C4v symmetry for the complex anions with multiple VN and VO bonds and a linear arrangement for the VNCl-group. AsPh4[VOCl4] crystallizes in the tetragonal space group P4/n with two formula units in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0,062, 1096 observed, independent reflexions). The structure consists of AsPh4+ cations and [VOCl4]- anions with symmetry C4v. The extremely short VO bond length corresponds with a VO triple; its steric requirements cause the relatively large bond angle OVCl of 103.4°.

Pyridin-Addukte von Cyclothiazeno-Vanadiumdichlorid Die Kristallstruktur von [VCl2(N3S2)(C5H5N)] / Pyridine Adducts of Cyclo-thiazeno Vanadium Dichloride The Crystal Structure of [VCl2(N3S2)(C5H5N)]

1985 ◽  
Vol 40 (12) ◽  
pp. 1631-1637 ◽  
Author(s):  
Ruth Christophersen ◽  
Paul Klingelhöfer ◽  
Ulrich Müller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Chlorine Atom ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Independent Molecules

Abstract The pyridine complexes of cyclo-thiazeno vanadium dichloride, [VCl2(N3S2)py] and [VCl2(N3S2)(py)2] were synthesized by reactions of polymeric VCl2(N3S2) with varying amounts of pyridine in CH2Cl2. The compounds were characterized by their IR spectra as well as by their 51V NM R spectra. The crystal structure of [VCl2(N3S2)(C5H5N)] was determined by means of X-ray diffraction (1582 independent observed reflexions, R = 0.031). Crystal data: orthorhombic, space group Pnma, a = 1372, b - 2261, c - 1068 pm, Z = 12. In the lattice there are two monomeric, crystallographically independent molecules [VCl2(N3S2)(C5H5N)], which differ only slightly. The vanadium atoms have a trigonal bipyramidal coordination with the N atom of the pyridine molecule and one chlorine atom in apical positions, and with one chlorine atom and the N atoms of the cyclo-thiazeno ligand in equatorial positions. The VN bond lengths of the planar VN3S2 ring of 174 pm correspond to double bonds

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