X-Ray structure of tris(acetonitrile)tricarbonylrhenium(I) tetrafluoroborate

1977 ◽  
Vol 55 (1) ◽  
pp. 111-114 ◽  
Author(s):  
Lillian Y. Y. Chan ◽  
E. E. Isaacs ◽  
W. A. G. Graham
Keyword(s):  
Least Squares ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
The Mean ◽  
Unit Cell Dimensions ◽  
Cell Data ◽  
Unit Cell Data

Reaction of [n-Bu4N]2[Re4(CO)16] with AgBF4 in acetonitrile affords the compound [(CH3CN)3Re(CO)3][BF4]. The latter crystallizes in monoclinic space group P21/c with unit cell dimensions a = 11.021(5) Å, b = 11.136(5) Å, c = 12.980(6) Å, β = 96.906(25)°, and four molecules per unit cell. Data were collected by counter methods and the structure was refined using least-squares procedures to give R = 0.041. The rhenium cation is approximately octahedrally coordinated by six facially arranged ligands. The mean rhenium–nitrogen distance is 2.13 Å, and the mean rhenium–nitrogen–carbon angle in the coordinated acetonitrile is 174.7°.

Improved Crystallographic Data for AlNbO4

1991 ◽  
Vol 6 (1) ◽  
pp. 48-49 ◽  
Author(s):  
C. J. Rawn ◽  
R. S. Roth ◽  
H. F. McMurdie
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystallographic Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe compound AlNbO4 has been studied by single crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a Δ2θ° of no more than 0.03°. A monoclinic cell was found with space group C2/m, a = 12.1558(5)Å, b = 3.7345(2)Å, c = 6.4886(3)Å, and β = 107.613(4)°.

Kristallstruktur von Bis(N.N′-bis(8-chinoyl)äthylendiaminato)nickel(II) / Crystal Structure of Bis(N,N′-bis(8-chinoyl)ethylenediaminato)nickel(II)

1977 ◽  
Vol 32 (2) ◽  
pp. 131-133 ◽  
Author(s):  
H. Endres ◽  
H. J. Keller ◽  
A. Poveda
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Least Squares ◽  
Title Compound ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Cell Dimensions ◽  
Planar Molecules ◽  
Unit Cell Dimensions

The title compound NiC20H16N4 crystallizes in the monoclinic space group Ρ21/a with unit cell dimensions a = 12.07(2) Å, b= 10.712(4) Å, c = 13.50(3) Å, β= 113.1(1)°. The structure was refined by a blockmatrix least squares procedure to R = 0.126, based on 1258 observed intensities. The planar molecules form centro-symmetric dimers in the solid state with interplane distances of 3.3 A.

Cyclopentadienyl-Ruthenium and -Osmium Chemistry. XXX. Synthesis and X-Ray Structure of [Ru(dppm-P)(dppm-P,P')(η-C5H5)][PF6]0.5[PO2F2]0.5

1988 ◽  
Vol 41 (4) ◽  
pp. 597 ◽  
Author(s):  
MI Bruce ◽  
MP Cifuentes ◽  
KR Grundy ◽  
MJ Liddell ◽  
MR Snow ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Phenyl Group ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
One Pot ◽  
Full Matrix ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

An improved, one-pot synthesis is reported for the [Ru (dppm -P)(dppm -P, P′)(η-C5H5)]+ cation as its BF4- salt. The crystal structure of [Ru ( dppm - P)( dppm -P,P′)(η-C5H5)]+, obtained as the mixed PF6-/PO2F2- salt, has also been determined. There are few differences in dimensions between the mono- and bi-dentate dppm ligands; chelation sharply reduces the P-CH2-P angle, and one phenyl group on each phosphorus is bent away from the metal. Crystals are monoclinic, space group C2/c with unit cell dimensions a 21.743(3), b 23.594(3), c 21.352(3)Ǻ, β 110.17(1) and Z 8. The structure was refined by a full-matrix least-squares procedure to final R 0.078 and Rw 0.087 for 4490 reflections with I > 2.5σ(I).

The External Shape of Human γ GI Immunoglobulin from Crystal Sections

1971 ◽  
Vol 29 ◽  
pp. 428-429
Author(s):  
L. W. Labaw
Keyword(s):  
Molecular Weight ◽  
Sodium Phosphate ◽  
Osmium Tetroxide ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Large Molecular Weight ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Crystallographic Axes

Crystals of a human γGl immunoglobulin have the external morphology of diamond shaped prisms. X-ray studies have shown them to be monoclinic, space group C2, with 2 molecules per unit cell. The unit cell dimensions are a = 194.1, b = 91.7, c = 51.6Å, 8 = 102°. The relatively large molecular weight of 151,000 and these unit cell dimensions made this a promising crystal to study in the EM.Crystals similar to those used in the x-ray studies were fixed at 5°C for three weeks in a solution of mother liquor containing 5 x 10-5M sodium phosphate, pH 7.0, and 0.03% glutaraldehyde. They were postfixed with 1% osmium tetroxide for 15 min. and embedded in Maraglas the usual way. Sections were cut perpendicular to the three crystallographic axes. Such a section cut with its plane perpendicular to the z direction is shown in Fig. 1.This projection of the crystal in the z direction shows periodicities in at least four different directions but these are only seen clearly by sighting obliquely along the micrograph.

Structural and vibrational studies of 1,1,3,3-tetracyanopropane and 2,2,4,4,6-pentacyanocyclohexenamine

1987 ◽  
Vol 65 (2) ◽  
pp. 261-270 ◽  
Author(s):  
R. A. Bell ◽  
B. E. Brown ◽  
M. Duarte ◽  
H. E. Howard-Lock ◽  
C. J. L. Lock
Keyword(s):  
Unit Cell ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
New Methods ◽  
Cell Dimensions ◽  
Cell Data ◽  
Unit Cell Data ◽  
Monoclinic Cell ◽  
C Nmr

1,1,3,3-Tetracyanopropane, 1, was prepared in low yields by a literature method with 2,2,4,4,6-pentacyanocyclohexenamine, 2, as a major by-product. The products were examined by X-ray crystallography. 1 has an orthorhombic space group, Pbcn (No. 60) with cell dimensions, a = 7.158(2), b = 10.510(3), c = 9.733(2) Å and has four formula units in the unit cell. 2 has a monoclinic cell, P21/c (No. 14) with cell dimensions a = 14.368(3), b = 6.626(1), c = 12.300(2) Å, β = 115.60(1)° and has 4 formula units in the unit cell. Data were collected with use of MoKα radiation and a Nicolet P3 diffractometer. The crystal structures were determined by standard methods and refined to Rw = 0.037 (1) and Rw = 0.040 (2) on the basis of 782 and 2108 unique reflections. Bond lengths and angles in the two compounds are normal. 2 has what has been considered to be the less likely tautomeric structure. Both compounds were examined by 1H, 13C nmr, vibrational spectroscopy, and mass spectroscopy. For 2 there was no evidence of the alternative tautomeric structure. New methods were developed for the preparation of both compounds and the mechanism of the original reaction rationalized.

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

Crystallization and preliminary X-ray crystallographic analysis of the Pseudomonas aeruginosa cyclohexadienyl dehydratase

1999 ◽  
Vol 55 (2) ◽  
pp. 539-541
Author(s):  
Palangpon Kongsaeree ◽  
Jun Liang ◽  
Roy A. Jensen ◽  
Jon Clardy
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Crystal Form ◽  
High Energy ◽  
Crystallographic Analysis ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The title protein has been crystallized in a new crystal form. The crystals belong to the cubic space group P4132 (or P4332) with unit-cell dimensions a = b = c = 126.1 Å at 100 K and typically diffract beyond 1.6 Å at the Cornell High Energy Synchotron Source (CHESS) A1 beamline.

Synthesis and Structure of cis-Dioxobis(pyrimidine-2-thiolato-N,S)molybdenum(VI)

1992 ◽  
Vol 45 (11) ◽  
pp. 1933 ◽  
Author(s):  
PR Traill ◽  
AG Wedd ◽  
ERT Tiekink
Keyword(s):  
Least Squares ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Distorted Octahedral ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The characterization of two MoVI complexes, cis -[MoO2(2-pymS)2] and cis -[MoO2(2-pyS)2] (where 2-pymSH is pyrimidine-2-thiol and 2-pySH is pyridine-2-thiol), and their reaction with Ph3P are reported. The X-ray structure of cis -[MoO2(2-pymS)2] shows the molybdenum atom to exist in a distorted octahedral geometry defined by two mutually cis oxygen atoms and two chelating 2-pymS ligands so that the two sulfur atoms occupy approximate trans positions. Crystals of cis -[MoO2(2-pymS)2] are monoclinic, space group P 21/n, with unit cell dimensions: a 9.301(3), b 12.121(2), c 11.303(3) �, β 112.62(3)�, V 1176.3 �3, Z 4. The structure was refined by a full-matrix least-squares procedure to R 0.067 for 1858 reflections with I ≥ 2.5 (I).

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Crystal structures of phenacylkojate (2-(hydroxymethyl)-5-phenacyloxy-4H-pyran-4-one) and its complex with sodium chloride: bis(phenacylkojate)sodium chloride

1976 ◽  
Vol 54 (17) ◽  
pp. 2723-2732 ◽  
Author(s):  
Simon E. V. Phillips ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Sodium Chloride ◽  
Potassium Iodide ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Hydroxyl Groups ◽  
Space Group ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Iodide Complex

The structures of the title compounds have been determined by three dimensional X-ray crystal structure analysis.Crystals of anhydrous phenacylkojate are monoclinic, space group P21/c, with unit cell dimensions a = 9.087(4), b = 11.764(3), c = 12.714(4) Å, β = 116.57(2)°, Z = 4. The structure was solved by direct methods and refined by full-matrix least-squares to R = 0.044 for 1225 independent diffractometer observations. The crystal structure is held together by hydrogen bonding between carbonyl and hydroxyl groups and [Formula: see text] interactions.Crystals of the sodium chloride complex are monoclinic, space group C2/c, with unit cell dimensions a = 11.3714(6), b = 15.796(1), c = 14.487(1) Å, β = 97.241(5)°, Z = 4. The structure was solved by heavy atom and Fourier methods and comparison with the previously determined structure of the potassium iodide complex. It was refined to R = 0.040 for 1670 independent diffractometer observations. The structure closely resembles that of the potassium iodide complex (P21/n), but in C2/c, the alkali metal ion being eight co-ordinate in each. Na+—O distances are in the range 2.558–2.674 Å and the [Formula: see text] hydrogen bonded distance is 3.266 Å.

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