The molecular and crystal structure of tetrakis(4-methylpyridine)cobalt(II) hexafluorophosphate

1979 ◽  
Vol 57 (2) ◽  
pp. 135-138 ◽  
Author(s):  
Raymond M. Morrison ◽  
Robert C. Thompson ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Thermal Parameters ◽  
Crystal Symmetry ◽  
Molecular And Crystal Structure ◽  
Distorted Octahedron ◽  
Distorted Tetrahedron ◽  
Fourier Methods ◽  
Full Matrix ◽  
Space Group

Crystals of tetrakis(4-methylpyridine)cobalt(II) hexafluorophosphate, C24H28CoF12N4P2, are tetragonal, space group I41/acd, a = 18.434(7), c = 18.818(6) Å, Z = 8. The structure was solved by direct and Fourier methods. The positional and anisotropic thermal parameters were refined by full-matrix least-squares methods to R = 0.072 for 346 observed reflexions. The structure consists of discrete [Co(4-mepy)4]2+ and PF6− ions. The structure of the cation is a distorted tetrahedron of 4-methylpyridine ligands around cobalt (crystal symmetry S4) and that of the anion is a distorted octahedron of fluorines around phosphorus (crystal symmetry C2).

scholarly journals The Crystal Structure of the [Pt(diethylenetriamine)Br]Br Complex

1975 ◽  
Vol 53 (8) ◽  
pp. 1139-1143 ◽  
Author(s):  
Robert Melanson ◽  
Joseph Hubert ◽  
F. D. Rochon
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Thermal Parameters ◽  
Platinum Atom ◽  
Molecular And Crystal Structure ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The molecular and crystal structure of the [Pt(dien)Br]Br complex (dien = diethylenetriamine) has been studied by X-ray diffraction. The compound belongs to the orthorhombic Pca21 space group and the cell parameters are: a = 14.211, b = 4.940, c = 13.450 Å, and Z = 4. The refinement of the positional and anisotropic thermal parameters, carried out by full matrix least squares calculations, converged to R = 0.039 and Rw = 0.036.The coordination around the platinum atom is planar. The crystal consists of alternate layers of [Pt(dien)Br]+ cations and Br− ions parallel to the ac plane.

scholarly journals The Crystal Structure of cis-Dichlorobis(dimethylsulfoxide)platinum(II)

1975 ◽  
Vol 53 (16) ◽  
pp. 2371-2374 ◽  
Author(s):  
Robert Melanson ◽  
Fernande D. Rochon
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Thermal Parameters ◽  
Platinum Atom ◽  
Molecular And Crystal Structure ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The molecular and crystal structure of cis-dichlorobis (dimethylsulfoxide) platinum(II), cis-[PtCl2(DMSO)2], has been studied by X-ray diffraction. The compound belongs to the mono-clinic P21/c space group and the cell parameters are: a = 8.653, b = 13.580, c = 10.914 Å, β = 123.43°, and Z = 4. The refinement of the positional and anisotropic thermal parameters, carried out by full matrix least-squares calculations, converged to R = 0.029 and Rw = 0.027.The coordination around the platinum atom is planar. As expected, the DMSO molecules are bonded to the platinum atom through sulfur. The bond distances found are: Pt—Cl = 2.306, 2.312 Å; Pt—S = 2.244, 2.229 Å; S—O = 1.469, 1.454 Å, and S—C = 1.77 to 1.79 Å. The crystal consists of layers of molecules parallel to the ac plane.

Crystal Structure of 1,3,5,7-Tetrasulfur-2,4,6,8-tetramethylimide, S4(NCH3)4

1973 ◽  
Vol 51 (15) ◽  
pp. 2504-2506 ◽  
Author(s):  
Alistair L. Macdonald ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Least Squares ◽  
Membered Ring ◽  
Molecular Symmetry ◽  
Fourier Methods ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths

Crystals of S4(NCH3)4 are orthorhombic, a = 25.483(6), b = 15.842(3), c = 5.642(2) Å, Z = 8, space group Fdd2, required molecular symmetry C2.•The structure was determined with CuKα diffractometer data by Patterson and Fourier methods, and refined by full-matrix least-squares methods to R = 0.067 for 473 observed reflexions. The eight-membered ring has a crown conformation, with approximate C4v symmetry, and the bonds at each nitrogen atom are slightly but significantly non-planar. Mean bond lengths are S—N = 1.677(4), C—N = 1.479(7) Å.

The crystal structure of arsenic telluroxide AsTe0.5O2

1993 ◽  
Vol 205 (1) ◽  
Author(s):  
A. C. Stergiou
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Single Crystals ◽  
Direct Methods ◽  
Anomalous Dispersion ◽  
Thermal Parameters ◽  
Trigonal Prism ◽  
Population Parameter ◽  
Full Matrix

AbstractSingle crystals of AsTeSolution of the structure was essentialy effected by direct methods combined with successive Fourier syntheses. The positional and anisotropic thermal parameters were refined by full-matrix least-squares calculations. Absorption and anomalous dispersion corrections were applied to all atoms. The finalThe As atom is coordinated by six O atoms forming a right trigonal prism. The Te atom site is partially occupied by Te atoms with a population parameter 0.5 and surrounded by six O atoms also forming a right trigonal prism. The structure looks like that of NiAs. Each of the AsO

Refinement of the crystal structure of metatorbernite

1993 ◽  
Vol 205 (1) ◽  
pp. 1-7 ◽  
Author(s):  
A. C. Stergiou ◽  
P. J. Rentzeperis ◽  
S. Sklavounos
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Anomalous Dispersion ◽  
Thermal Parameters ◽  
Water Molecules ◽  
Full Matrix ◽  
Absorption Correction ◽  
Atom Position ◽  
Oxygen Atoms

AbstractThe crystal structure of metatorbernite with composition CuThe positional and thermal parameters were refined by full-matrix least-squares calculations. Absorption correction and correction for anomalous dispersion, for all atoms, were applied. The finalThe structure is essentially similar to that described by M. Ross, H. Evans and D. Appleman (1964) for metatorbernite, with a difference in the Cu atom position, which here is 1/4 1/4 0.31 instead of 1/4 1/4 0.80. The U atoms are six-coordinated by two O atoms (uranyl group) and four phosphate – oxygen atoms forming an asymmetrical tetragonal dipyramid. The Cu atoms are six-coordinated by two oxygen atoms of two different uranyl groups and four water molecules forming also an asymmetrical tetragonal dipyramid. The four water molecules form squares Cu(H

The crystal structure and vibrational spectra of cis-dichlorobis(cyclopropylamine)-platinum(II), PtCl2(C3H5NH2)2

1981 ◽  
Vol 59 (18) ◽  
pp. 2737-2745 ◽  
Author(s):  
Helen Elaine Howard-Lock ◽  
Colin James Lyne Lock ◽  
Graham Turner ◽  
Maruta Zvagulis
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Vibrational Spectra ◽  
Vibrational Analysis ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
Deuterated Analogue

Crystals of cis-dichlorobis(cyclopropylamine)platinum(II), PtCl2(C3H5NH2)2, are monoclinic, a = 12.770(5), b = 5.838(2), c = 15.113(6) Å, β = 104.46(3)°, Z = 4, space group P21/c. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares to R = 0.057, Rw = 0.055 for 1577 reflections with I > 3σ(I). Bond lengths and angles are normal. A vibrational analysis of the compound and its d2-deuterated analogue was performed.

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

The crystal structure of kogarkoite, Na3SO4F

1980 ◽  
Vol 43 (330) ◽  
pp. 753-759 ◽  
Author(s):  
L. Fanfani ◽  
G. Giuseppetti ◽  
C. Tadini ◽  
P. F. Zanazzi
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Least Squares Method ◽  
Thermal Parameters ◽  
Cell Content ◽  
Space Group ◽  
X Ray ◽  
Structural Relationships ◽  
Automatic Diffractometer ◽  
Monoclinic Cell

SummaryThe crystal structure of synthetic kogarkoite has been determined from X-ray data collected on an automatic diffractometer. The refinement was performed by a least-squares method employing anisotropic thermal parameters. The 3157 reflections with I > 3σ(I) converged to a conventional R value of 0.033. The cell content is 12 Na3SO4F, the space-group P21/m, a = 18.074, b = 6.958, c = 11.443 Å, β = 107.71°.Kogarkoite presents a marked trigonal subcell with c′ corresponding to [102] of the monoclinic cell. The tridimensional framework can be considered built up by nine differently stacked layers of Na atoms approximately perpendicular to the c′ axis (five sheets are present in galeite, six in sulphohalite, and seven in schairerite). The very close structural relationships between these minerals are discussed.

Reaction of N,N′-dihydroxy-.N,N′-dimethylmethanediamine with phenylboronic acid and the crystal and molecular structure of N,N′-dihydroxy-N,N′-dimethylmethanediamine

1989 ◽  
Vol 67 (11) ◽  
pp. 1959-1963 ◽  
Author(s):  
Wolfgang Kliegel ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Phenylboronic Acid ◽  
Direct Methods ◽  
Exact Formula ◽  
Full Matrix ◽  
Space Group ◽  
Hydrogen Bonded

The reaction of N,N′-dihydroxy-N,N′-dimethylmethanediamine with phenylboronic acid leads to the product 1,7-dimethyl-3,5-diphenyl-2,4,6-trioxa-7-aza-1-azonia-3-bora-5-boratabicyclo[3.3.0]octane rather than the expected product 1,5-dimethyl-3-phenyl-1,5-diaza-2,4-dioxa-3-boracyclohexane. The structure of N,N′-dihydroxy-N,N′-dimethylmethanediamine has been determined and is discussed in terms of its reaction with PhB(OH)2. Crystals of N,N′-dihydroxy-N,N′-dimethylmethanediamine are tetragonal, a = 8.5346(3), c = 8.4178(7) Å, Z = 4, space group P421c. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to a final R of 0.036 and Rw of 0.038 for 333 reflections with I ≥ 3σ(I). The structure consists of hydrogen-bonded dimers having exact [Formula: see text] symmetry. Keywords: N,N′-dihydroxy-N,N′-dimethylmethanediamine, crystal structure.

The Crystal Structure of Dimedone

1975 ◽  
Vol 53 (7) ◽  
pp. 1046-1050 ◽  
Author(s):  
Ishwar Singh ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Symmetry ◽  
Enolic Form ◽  
Full Matrix ◽  
Space Group ◽  
Least Squares Techniques

Dimedone, C8H12O2, crystallizes with monoclinic symmetry, a = 10.079(7), b = 6.835(3), c = 12.438(4) Å, β = 110.24(5)°, space group P21/n and Z = 4. The structure of this compound was solved by direct methods and refined by full-matrix least-squares techniques using 1205 unique reflections to a final R of 0.047. In the solid state it exists in the enolic form and these molecules pack in the crystal in systems of infinite chains linked together by hydrogen bonds in the y direction. These results are virtually the same as recently reported by Semmingsen.

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