Die Kristallstruktur des Tetraphenylphosphonium-Monoiodohexahydroc/ oso-Hexaborats [P(C6H5)4][B6H6I] / The Crystal Structure of Tetraphenylphosphonium Monoiodohexahydro-closo-hexaborate [P(C6H5)4][B6H6I]

1994 ◽  
Vol 49 (12) ◽  
pp. 1809-1812 ◽  
Author(s):  
W. Preetz ◽  
D. Sonnak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of [P(C6H5)4][B6H6I] has been determined by single crystal X-ray diffraction analysis; triclinic, space group P1 with a = 7.5137(9), b = 12.623(2), c = 13.6363(13) Å, α = 87.787(13)°, β = 83.836(13)°, γ = 88.156(10)°. The additional H atom could be refined with B-H distances of 1.13 to 1.31 A above one of the facettes of the B6 octahedron opposite to the I substituent.

Metallaborane Reaction Chemistry. Part 3. Reaction of Carbon Monoxide with [6-H-6-(PPh3)-6P,5C-μ-(2-Ph2PC6H4)-nido-6-IrB9H12] and the Isolation and Characterisation of Two arachno-6-Monoiridadecaboranes [6-(CO)-6-H-6,9-(PPh3)2-6P,5C-μ-(2-Ph2PC6H4)-arachno-6-IrB9H11] and sym-[6-(CO)-6-H-6,6-(PMe2Ph)2-9-(PPh3)-arachno-6-IrB9H11]

1997 ◽  
Vol 62 (8) ◽  
pp. 1239-1253 ◽  
Author(s):  
Jonathan Bould ◽  
Paul Brint ◽  
John D. Kennedy ◽  
Mark Thornton-Pett ◽  
Lawrence Barton ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Reaction System ◽  
Structural Type ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray

[6-(CO)-6-H-6,9-(PPh3)2-6P,5C-μ-(2-Ph2PC6H4)-arachno-6-IrB9H11] (1) results from the reaction of [6-H-6-(PPh3)-6P,5C-μ-(2-Ph2PC6H4)-nido-6-IrB9H12] (2) with carbon monoxide in refluxing benzene. It is characterised by NMR spectroscopy and by single-crystal X-ray diffraction analysis. Crystals were triclinic, space group P1, with a = 10.688(2), b = 13.114(3), c = 22.356(5) Å, α = 78.33(2), β = 89.482(10), γ = 70.884(12)°, and Z = 2. The compound is of the little-examined arachno ten-vertex metallaborane structural type. A second compound of this type, [6-(CO)-6-H-6,6-(PMe2Ph)2-9-(PPh3)-arachno-6-IrB9H11] (3), isolated from a reaction system involving [Ir(CO)Cl(PPh3)2], PMe2Ph and the [nido-B9H12]- anion, has also been characterised crystallographically. Crystals were triclinic, space group P1, with a = 10.389(1), b = 10.511(1), c = 19.699(3) Å, α = 75.03(1), β = 85.53(1), γ = 74.88(1)°, and Z = 2.

Reactions between Co(II), 1,2-bis(diphenylphosphino)ethane, and NaBH3CN in the presence and absence of CO. The crystal structure of bis(cyanotrihydroborato)tetrakis(N,N-dimethylformamide)cobalt(II)

1988 ◽  
Vol 66 (7) ◽  
pp. 1770-1775 ◽  
Author(s):  
David J. Elliot ◽  
Sanna Haukilahti ◽  
David G. Holah ◽  
Alan N. Hughes ◽  
Stanislaw Maciaszek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
R Factor

Reactions between Co(II), Diphos, and NaBH3CN lead to Co(BH3CN)2(Diphos)2, 1, or [Co(BH3CN)(Diphos)2]X, 2 (X = ClO4 or BPh4), and, in certain solvents, 2 reacts to produce [Co(CN)(Diphos)2](ClO4). Compound 1 can be reversibly converted to Co(BH3CN)2(DMF)4, 4, via Co(BH3CN)2(Diphos)(DMF). In addition, 1 reacts with CO to form the Co(I) and Co(III) compounds [Co(Diphos)2](CO)]X and [Co(Diphos)2(CN)2]X (X = BH3CN or BPh4). Single crystal X-ray diffraction studies of 4 show that the compound crystallizes in the triclinic space group [Formula: see text], with unit cell parameters a = 7.572(6), b = 9.695(6), c = 9.395(6) Å, α = 81.06(4), β = 68.46(5), γ = 68.19(5)°, V = 595.5 Å3, Z = 1, and dcalcd = 1.202 g cm−3. The structure converged to a conventional R factor of 0.040 for 2841 observations and showed an octahedral arrangement of four O atoms from DMF molecules and two trans N-bound BH3CN groups around the Co(II) center.

scholarly journals Synthesis, Crystal Structure, and Fungicidal Activity of 5-(4-cyclopropyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Xing-Hai Liu ◽  
Jian-Quan Weng ◽  
Cheng-Xia Tan
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Fungicidal Activity ◽  
Herbicidal Activity ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new 1,2,3-thiadiazole compound was synthesized and characterized. The crystal structure of the title compound (C15H14FN5S2, Mr = 347.43) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 witha=7.0490(14),b=9.0212(18),c=12.799(3) Å,α= 89.97(3)°,β= 82.27(3)°,γ= 73.17(3)°,V= 771.3(3)  Å3, Z = 2, F(000) = 360, Dc = 1.496 g/cm3,μ= 0.036 mm−1, the finalR1= 0.0358, andwR2= 0.0986 for 2204 observed reflections withI>2σ(I). A total of 5697 reflections were collected, of which 2719 were independent (Rint=0.0028). The herbicidal activity of title compound was determined; the results showed that the title compound displayed excellent fungicidal activity.

Schwingungsspektren und Normalkoordinatenanalysen der Dioxoosmate( VI) trans-[OsO2(CN)4]2-, trans-[OsO2(CN)2(0H )]22- und trans-[OsO2(CN)2(OCH3)]22 sowie Kristallstruktur von trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2 / Vibrational Spectra and Normal Coordinate Analysis of the Dioxoosmates(VI) trans-[OsO2(CN)4]2-, trans-[OsO2 (CN)2(OH)]22- and trans-[OsO2(CN)2(OCH3]22- , and Crystal Structure of trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2

1999 ◽  
Vol 54 (9) ◽  
pp. 1109-1115
Author(s):  
A. Strueß ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Vibrational Spectra ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Normal Coordinate ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir And Raman

The crystal structure of trans-(Ph3PNPPh3)2[OsO2(CN)2(OCH3)]2 (triclinic, space group P1̄, a = 11.816(2), b = 13.480(3), c = 13.610(5) Å, α = 83.46(2), ß = 77.09(2), γ = 71.06(2)°, Z = 1) has been determined by single crystal X-ray diffraction analysis. The IR and Raman spectra of the (n-Bu4N)-salts of trans-[OsO2(CN)4]2- (1), trans-[OsO2(CN)2(OH)]22- (2) and trans-[OsO2(CN)2(OCH3)]22- (3) were measured at room temperature. Based on the molecular parameters of the X-ray determination normal coordinate analyses have been performed and the vibrations are assigned. The valence force constants of 1 are fd(Os=O) = 6.5, fd(Os-C) = 2.62 and fd(C≡N ) = 16.85 mdyn/A, of 2 and 3 are fd(Os=O) = 6.7, fd(Os-C) = 2.55 and fd(C≡N ) = 16.95 mdyn/Å. fd(Os-O) ranges from 2.0 - 2.2 and for the methoxy bridge is fd(C-O) = 4.00 mdyn/Å

Synthese und Kristallstruktur von Bis(m-aminobenzonitril)- diquecksilber(I)-dinitrat/Synthesis and Crystal Structure of Bis(m-aminobenzonitrile)dimercury(I)-dinitrate

1992 ◽  
Vol 47 (4) ◽  
pp. 460-464 ◽  
Author(s):  
Klaus Brodersen ◽  
Jürgen Hofmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Amino Nitrogen ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

The structure of bis(m-aminobenzonitrile)dimercury(I) dinitrate, [Hg2(m -NH2C6H4CN)2](NO3)2 has been determined by single crystal X-ray diffraction techniques and refined to an Rw-value of 0.022. The crystals are triclinic, space group P1 with a = 5.4878(1) Å, b = 8.4085(1) Å, c = 9.6062(1) Å, α = 92.599(3)°, β = 94.763(3)°, γ = 89.614(3)° and Z = 1.The Hg22+-ion [Hg-Hg 2.524(1) Å] is approximately axially coordinated to amino nitrogen atoms [Hg - N 2.209(4) Å, Hg - Hg - N 169.5(3)°]. Additional amino hydrogen bonds to oxygen are building chains along the b-axis containing units of L - Hg - Hg - L groups.

Darstellung und Kristallstruktur von Bis(triphenylphosphin)-decahydro-hypho-hexaboran [(PPh3)2B6H10]·CH2Cl2 / Synthesis and Crystal Structure of Bis(triphenylphosphine)-decahydro-hypho-hexaborane[( PPh3)2B6H10]CH2Cl2

1998 ◽  
Vol 53 (11) ◽  
pp. 1326-1328 ◽  
Author(s):  
T. Schaper ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

By reaction of [B6H6]2- with (PPh3)3AgCl in dichloromethane the belt-shaped hypho-hexaborane adduct [(PPh3)2B6H10] is formed. The crystal structure of [(PPh3)2B6H10]·CH2Cl2 has been determined by single crystal X-ray diffraction analysis: orthorhombic, space group Pbnb with a = 9.804(3), b = 17.864(4), c = 21.334(2) Å, Z = 4.

Darstellung, 11B-, 13C-NMR- und Schwingungsspektren von Cs2[B6Cl5(p-C6H4(NI-I2))] sowie Kristallstruktur von (Ph4P)2[B6Cl5(p-C6H4(NH2))]·2CH3CN · 0,5 Et2O / Preparation, 11B, 13C NMR and Vibrational Spectra of Cs2[B6Cl5(p-C6H4(NH2))] and Crystal Structure of (Ph4P)2[B6Cl5(p-C6H4(NH2))]· 2CH3CN · 0.5 Et2O

2001 ◽  
Vol 56 (1) ◽  
pp. 85-89
Author(s):  
S. Zander ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
13C Nmr ◽  
Vibrational Spectra ◽  
Amino Derivative ◽  
X Ray Diffraction ◽  
Nmr Spectrum ◽  
Triclinic Space Group ◽  
X Ray

Abstract By reduction of [B6Cl5(p-C6H4 (NO2))]2- with hydrazine in the presence of Raney nickel in dichlorom ethane solution the amino derivative [B6Cl5(p-C6H4(NH2)]2-is formed. X -ray diffraction analysis has been performed on a single crystal of (Ph4P)2[B6Cl5(p-C6H4(NH2] ·2CH3CN-0,5Et2O(triclinic, space group P1̅, a = 12.870(6), b = 12.9406(5), c = 35,870(7) Å , a = 91,63(4), ß = 93,22(7), γ = 98,04(8)°, Z = 2). The 11B NMR spectrum is consistent with a monosubstituted B6 cluster. The IR and R am an spectra exhibit characteristic BB, CH , CC, and NH vibrations, respectively.

The crystal structure of two cobalt(I) complexes containing the polyphosphine ligands PhP{(CH2)nPPh2}2 (n = 2, 3)

1977 ◽  
Vol 30 (11) ◽  
pp. 2395 ◽  
Author(s):  
R Mason ◽  
GR Scollary
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
Cobalt Complexes ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Independent Reflection ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bite Angle

X-ray diffraction analysis of the two complexes [CoPhP{(CH2)3PPh2}2P(OMe)3CO] BF4,thf and [CoPhP{(CH2)2PPh2}2{P(OMe)3}2] BF4 are reported. Crystals of the first complex are triclinic, space group Pī with a 14.310(1), b 11.080(2), c 16.099(3) Ǻ, α 68.30(2), β 90.78(2), γ 75.04(1)�. The structure analysis has been based on 2964 independent reflection intensities (Cu Kα automatic diffractometry) to give R 0.11. The second complex is monoclinic, space group P21/c, with a 13.18(4), b 11.49(3), c 29.66(6) Ǻ, β 101.59(2)�. Refinement by least squares has converged to R 0.093 for the 2256 independent reflection intensities, observed by Mo Kα automatic diffractometry. The preferred stereochemistries of the five-coordinate cobalt complexes are discussed in relation to the bite angle of the chelating phosphine.

Growth and characterization studies of a novel luminescent acetate-bridged barium(II) complex: poly[(μ-diacetato)(tetraphthalato)pentabarium(II)]

2016 ◽  
Vol 39 (5-6) ◽  
Author(s):  
Ushakumari S. Soumya Mol ◽  
Remya M. Nair ◽  
Ravikumar Drisya ◽  
Prasanna R. Satheesh Chandran ◽  
Malieyeckal R. Sudarsanakumar ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Diffusion Technique ◽  
Characterization Studies ◽  
Gel Diffusion

AbstractA novel coordination polymer, poly[(μ-diacetato)(tetraphthalato)pentabarium(II)], with acetate bridged moiety has been successfully grown by gel diffusion technique. Single crystal X-ray diffraction analysis showed that the compound crystallizes in triclinic space group

Darstellung und Struktur des Polyvanadato-periodates Na6[H2V2I2O16]·10H2O / Preparation and Crystal Structure of the Heteropoly Periodate Na6[H2V2I2O16]·10H2O

1982 ◽  
Vol 37 (10) ◽  
pp. 1241-1244 ◽  
Author(s):  
Rainer Mattes ◽  
Kurt-Ludwig Richter
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray

Abstract The structure of the heteropoly periodate ion [H2V2I2O16]6- has been determined in its Na salt at -150 °C by single crystal X-ray diffraction with 1909 reflections and refined to F = 0.022 (R′= 0.028). Na6[H2V2I2O16]·10H2O crystallizes in the triclinic space group P1 with a = 11.407(5), b = 8.865(3), c = 6.105(3) Å, α = 82.07(3)°, β = 84.24(4)° γ = 70.23(3)°, V = 574.5 Å3 , Z = 1. The [H2V2I2O16]6- anion consists of edge and corner sharing IO6 octahedra and VO5 square pyramids. The vibrational spectra clearly indicate the presence of VO(terminal)2 groups.

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