Substituted Ruthenium Triammine Complexes: The Crystal Structure of Triammineaqua(pentane-2,4-dionato)ruthenium(III) Dithionate Dihydrate, [Ru(NH3)3:(acac)(OH2)][S2O6].2H2O

1988 ◽  
Vol 41 (8) ◽  
pp. 1251 ◽  
Author(s):  
AA Diamantis ◽  
PS Moritz ◽  
MR Snow ◽  
ERT Tiekink
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Structure Analysis ◽  
Least Squares Method ◽  
Electrochemical Studies ◽  
Dilute Solution ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
Ruthenium Atom ◽  
Species Being

The complex [ Ru (NH3)3( acac )(OH2)]2+ was obtained by the reaction of [ Ru (NH3)3(H2O)3][CF3SO3]3 with pentane-2,4-dione. The crystals are orthorhombic, space group P212121, with a 7.805(4), b 12.997(4), c 17.479(13) Ǻ, U 1773.1 Ǻ3 with Z 4. The structure was refined by a full-matrix least-squares method on 827 reflections [for which I ≥ 2.5σ(I)] to final R 0.042 and Rw 0.043. The structure analysis reveals an almost perfect octahedral coordination around the ruthenium atom with the three ammine ligands attached in a facial arrangement. Spectroscopic and electrochemical studies are consistent with the same species being present in dilute solution.

Crystal Structure of α-VPO5

1973 ◽  
Vol 51 (16) ◽  
pp. 2621-2625 ◽  
Author(s):  
Byron Jordan ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Least Squares ◽  
Least Squares Method ◽  
Fold Axis ◽  
Full Matrix ◽  
Bond Lengths ◽  
R Value ◽  
A Site ◽  
Vanadium Ion

α-VPO5 crystallizes in the tetragonal space group P4/n with a = 6.014(7) and c = 4.434(2) Å. The structure, isotypic with that of α-VSO5, was refined by full-matrix least-squares method to an R value of 0.089 using 239 independent reflections. The vanadium ion lies on a crystallographic four-fold axis, as does one of the oxygen atoms, and the P on a site of [Formula: see text] symmetry. A second oxygen atom, as a result of disorder, occurs in two positions which are mirror reflected with respect to the ac plane. The structure consists of highly distorted VO6 groups with bond lengths along the c axis of 1.580(11) and 2.853(11) Å while the remaining four V—O bond lengths are all 1.858(8) Å. The P—O bond lengths in the PO4. tetrahedron are 1.541(8) Å with the PO4 groups bridging across four chains of VO6 groups.

Crystal Structure of ζ2' Martensite in Au-49.5at%Cd Alloy

1991 ◽  
Vol 246 ◽  
Author(s):  
Yutaka Emura ◽  
Takuya Ohba ◽  
Kazuhiro Otsuka
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Least Squares ◽  
Least Squares Method ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Lattice Constants

AbstractCrystal structure of the ζ2' martensite in a Au-49.5at%Cd ally has been analyzed by the single crystal x-ray diffraction method. The crystal lattice was trigonal and the lattice constants were a:0.8095(3) and c=o.57940(6) nm. There were 18 atoms in a unit cell. The space group was P3, which was different from that previously determined by Vatanayon and Hehemann. The structure was refined by the full matrix least squares method to a final R factor of 7.8% and a weighted R factor of 4.1%.

Verfeinerung der Kristallstruktur eines basaltischen Magnesio-Hastingsites

1981 ◽  
Vol 156 (3-4) ◽  
Author(s):  
E. M. Walitzi ◽  
F. Walter
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Least Squares Method ◽  
Three Dimensional ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the basaltic clino-amphibole magnesio-hastingsite was refined from three-dimensional photographic X-ray data by a full matrix least-squares method in the space group

The Crystal Structure of KAlP2O7

1973 ◽  
Vol 51 (16) ◽  
pp. 2613-2620 ◽  
Author(s):  
Hok Nam Ng ◽  
Crispin Calvo
Keyword(s):  
Crystal Structure ◽  
Spherical Shell ◽  
Bond Length ◽  
Least Squares ◽  
Least Squares Method ◽  
Full Matrix ◽  
Bond Lengths ◽  
The Mean ◽  
R Value ◽  
Oxygen Atoms

KAlP2O7 crystallizes as monoclinic crystals with a = 7.308(8), b = 9.662(6), c = 8.025(4) Å, β = 106.69(7)°, z = 4 and space group P21/c. The structure was refined from 1394 observed reflections by full-matrix least-squares method to a final R value of 0.032. The P2O74− anion consists of a pair of corner-sharing PO4 groups in a nearly staggered configuration. The mean bridging and terminal P—O bond lengths are 1.607 and 1.509 Å, respectively, and the P—O—P angle is 123.2°. The anions lie in planes parallel to (001). The Al ions are bonded to six oxygen atoms contributed by anions in three layers of P2O7 groups. The average Al—O bond length is 1.889 Å. The potassium ion is coordinated to ten oxygen atoms lying within a spherical shell with inner and outer radii of 2.739 and 3.185 Å.

Structural studies and redox reactivity of platinum complexes of 14-membered tetraaza macrocyclic ligands

1997 ◽  
Vol 75 (10) ◽  
pp. 1363-1374 ◽  
Author(s):  
S. Chandrasekhar ◽  
W.L. Waltz ◽  
J.W. Quail ◽  
L. Prasad
Keyword(s):  
Cyclic Voltammetry ◽  
Least Squares ◽  
Mass Spectroscopy ◽  
Least Squares Method ◽  
Direct Methods ◽  
Complex Ions ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
Space Group ◽  
Electrospray Mass Spectroscopy

Pt(II) monomeric complexes of N-containing macrocycles have been synthesized and characterized in solution by 1H NMR, 13C NMR, and electrospray mass spectroscopy (ESMS) and in the solid state by X-ray crystallography. Crystals of [Pt(cyclam)](ClO4)2 (cyclam = 1,4,8,11-tetraazacyclotetradecane) are orthorhombic, space group P21cn, a = 9.596 (3), b = 14.595 (21), c = 24.8782 (20) Å, Z = 8. The structure was solved by direct methods and was refined by the full-matrix least-squares method to R = 0.073 and Rw = 0.093 for 2976 reflections with I ≥ 2.5σ(I). Crystals of [Pt(N-methylcyclam)]-(ClO4)2•CH3CN (N-methylcyclam = 1,4,8,11 tetramethyl-1,4,8,11-tetraazacyclotetradecane = NMe4cyclam = tmc) are orthorhombic, space group Pmcn, a = 9.574 (8), b = 14.116 (5), c = 17.5456 (15) Å, Z = 4. The structure was solved by direct methods and was refined by the full-matrix least-squares method to R = 0.067 and Rw = 0.091 for 2216 reflections with I ≥ 2.5σ(I). Cyclic voltammetry and EPR spectroscopy have been used to study the redox reactivity of the Pt(II)and Pt(IV) complex ions. The solution chemistry of Pt(IV) complexes based on cyclam and N-methylcyclam was investigated by electrospray mass spectrometry. Electrospray mass spectral evidence has been obtained for the formation of [Pt(III)(cyclam)Cl2]+ and [Pt(III)(N-methylcyclam)Cl2]+ ions. Keywords: Pt macrocycles, crystallography, electrospray mass spectroscopy, cyclic voltammetry, Pt(III) complex ions, tetraaza macrocycles.

The crystal structure of the methyl-bridged yttrium-aluminium complex, [(η-C5H5)2YMe2AlMe2]

1978 ◽  
Vol 31 (2) ◽  
pp. 411 ◽  
Author(s):  
GR Scollary
Keyword(s):  
Crystal Structure ◽  
Structural Analysis ◽  
Least Squares ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
Space Group ◽  
X Ray ◽  
Yttrium Aluminium

A structural analysis of [(η-C5H5)2YMe2AlMe2] has been carried out by X- ray diffraction. Crystals are orthorhombic, space group Pna21, a 17.969(6), b 7.988(4), c 10.870(4) Ǻ, Z 4. The structure has been refined by a full-matrix least-squares procedure to R 0.052 for 663 observed reflections (Mo Kα automatic diffractometry). The structure contains a dimethyl bridge, the average bridging bond distances being 2.58(3) Ǻ for Y-C and 2.10(2) Ǻ for Al-C, and the Y-Al separation is 3.056(6) Ǻ.

The crystal structure of [Pt(tetraethyldiethylenetriamine)I]I

1980 ◽  
Vol 58 (7) ◽  
pp. 664-668 ◽  
Author(s):  
Rosemary C. E. Durley ◽  
William L. Waltz ◽  
Beverly E. Robertson
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Structure Analysis ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
Platinum Atom ◽  
Full Matrix ◽  
Square Planar ◽  
Dimensional Crystal

Crystals of [Pt(Et4dien)I]I, where Et4dien = (C2H5)2NC2H4NHC2H4N(C2H5)2, have been prepared. A three dimensional crystal structure analysis has been carried out in a monoclinic unit cell having a = 12.565(8), b = 7.576(6), c = 21.040(15) Å, β = 91.12(2)° and space group P21/c, Z = 4. Full-matrix least-squares using 1982 independent, observed reflections converged at R = 0.067. The platinum atom has square-planar co-ordination. The orientation of the four ethyl groups with respect to the plane of the ligand is similar to that observed in related molecules, in spite of a lack of similarity of the molecular packing. The iodide ion appears to be hydrogen bonded to the ligand.

Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride

1997 ◽  
Vol 212 (5) ◽  
Author(s):  
Y. Dromzée ◽  
J. Kossanyi ◽  
V. Wintgens ◽  
P. Valat ◽  
H. Hartmann ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal Structures ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Crystal Structure Analysis ◽  
Full Matrix

AbstractThe crystal structures of two borines were solved by direct methods and refined by full-matrix least-squares procedure. 6-methyl-4-phenyl-1,3,2-(2The crystal structure analysis of compound

Crystal Structure of Sodium O,O'-Nitritonitroargentate(I)

1979 ◽  
Vol 32 (2) ◽  
pp. 297
Author(s):  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Nitro Group ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Linear Coordination

The crystal structure of the title compound, NaAg(NO2)2, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by full-matrix least squares to a residual of 0.043 for 449 'observed' reflections. Crystals are orthorhombic, space group Fd2d, a 7.913(2), b 10.721(2), c 10.857(3) �, Z 8. The structure is closely related to that of sodium and silver nitrites; the silver environment is dominated by the 'linear' coordination of a nitro group (Ag-N 2.25(2) �) and a 'chelating' pair of oxygen atoms from another NO2- species (Ag-O 2.422(8)�), the O2N-Ag-O2N group containing a crystallographic 2 axis.

The crystal chemistry of the amphiboles. III: Refinement of the crystal structure of a sub-silicic hastingsite

1977 ◽  
Vol 41 (317) ◽  
pp. 43-50 ◽  
Author(s):  
F. C. Hawthorne ◽  
H. D. Grundy
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Bond Length ◽  
Least Squares ◽  
Crystal Chemistry ◽  
Least Squares Method ◽  
Three Dimensional ◽  
Full Matrix ◽  
Positional Disorder ◽  
The Mean

SummaryThree-dimensional counter-diffractometer data and a full-matrix least-squares method have been used to refine the crystal structure of a sub-silicic hastingsite in the space group C2/m. The chemical composition of the amphibole is with ceil parameters a = 9·8659(4), b = 18·0139(8), c = 5·3545(2)Å, and β = 105·082(1)°. Unit weights were used throughout the refinement and the final R-factor for 1263 observed non-equivalent reflections was 4.1%. The mean tetrahcdral bond length for aluminous amphiboles varies linearly with the total amount of tetrahedral A1. Curves are derived relating individual mean bond lengths with A1 occupancy. The positional disorder on the A-site of the aluminous amphiboles appears to be partly related to the amount of substitution of A1 into the T(2) tetrahedron.

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