The crystal and molecular structure of bis(2,3-butanedione dioximato)chloro-(hydroxodiphenylarsine)cobalt(III): assignment of the nature of the arsenic-based ligand

1984 ◽  
Vol 62 (2) ◽  
pp. 285-288 ◽  
Author(s):  
Monica Pizzey ◽  
Lynn Mihichuk ◽  
Richard J. Barton ◽  
Beverly E. Robertson
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Oxygen Atom ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Arsenic Compound ◽  
Single Bond ◽  
Orthorhombic Space Group ◽  
Cl Atom

The Co(II) cobaloximes, (B)Co(dmgH)2 (where B = phosphine or phosphite; dmgH = dimethylglyoximato monoanion) react with (C6H5)2AsCl to form ClCo(dmgH)2B and a compound of formula C20H25AsClCoN4O5. A crystal structure analysis of the arsenic compound indicated it to be bis(2,3-butanedione dioximato)chloro(diphenylhydroxoarsine)cobalt(III), [(C6H5)2As(OH)Co(dmgH)2Cl]. The crystals are orthorhombic, space group Pna21, a = 15.334(2), b = 11.173(2), c = 13.745(4) Å at 19(2) °C with Z = 4. The structure has been refined by the least-squares method to a weighted residual of 0.071 using 2345 independent reflections. The Co atom is bonded equatorially to two dmgH ligands (average [Co—N] = 1.89(1) Å) with a Cl atom above this plane ([Co—Cl] = 2.252(2) Å) and the As atom of the (C6H5)2As(OH) group below it ([Co—As] = 2.322(1) Å). The [As—O] bond length is 1.781(7) Å, corresponding to a single bond and is consistent with the observed H atom on the oxygen atom.

scholarly journals The crystal and molecular structure of the bis(N,N,N′,N′-tetramethylethanediamine) adduct of I(Br)InInBr2, In2Br3I•2C6H16N2, an indium–indium bonded molecule

1984 ◽  
Vol 62 (3) ◽  
pp. 601-605 ◽  
Author(s):  
Masood A. Khan ◽  
Clovis Peppe ◽  
Dennis G. Tuck
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Orthorhombic Space Group ◽  
Trigonal Bipyramidal ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Heavy Atom Method ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the title compound has been determined by the heavy atom method. The crystals are orthorhombic, space group Pbca, with unit cell dimensions a = 22.795(3) Å, b = 17.518(2) Å, c = 12.396(3) Å, Z = 8; R = 0.0409 for 1527 unique "observed" reflections. The structure is disordered, with each halogen site (X) occupied by 75% Br, 25% I. The molecule consists of two X2(tmen)In units (tmen = N,N,N′,N′-tetramethylethanediamine) with distorted trigonal bipyramidal geometry, joined by an In—In bond 2.775(2) Å in length.

Metalltetrahydridoborate und Tetrahydridometallate, 11 [1] Zur Kristall- und Molekülstruktur von Magnesiumtetrahydridoborat Mg(BH4)2 • 3 THF / Metal Tetrahydridoborates and Tetrahydridoborato Metallates, 11 [1] The Crystal and Molecular Structure of Magnesium Tetrahydridoborate Mg(BH4)2 • 3 THF

1982 ◽  
Vol 37 (12) ◽  
pp. 1499-1503 ◽  
Author(s):  
Heinrich Nöth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Oxygen Atom ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Equatorial Position ◽  
Crystallographic Axis ◽  
Space Group ◽  
Distorted Trigonal Bipyramid ◽  
Double Hydrogen

Mg(BH4)2 • 3 THF was prepared from MgHo and B2H6 in tetrahydrofuran. It crystallizes monoclinically, space group C2/c, Z = 4. The crystal structure reveals that the molecule contains a seven-coordinate Mg center. Its BH4 groups form double hydrogen bridges to magnesium. The geometry at Mg corresponds to a slightly distorted trigonal bipyramid for the O 3 B 2 (Mg)-coordination polyhedron, with two THF molecules in apical and one in equatorial position. A two-fold crystallographic axis passes through Mg and the equatorial oxygen atom thus posing C2 symmetry on the molecule

The Crystal-Structure of Bis(O-Ethylxanthato)-Triphenylphosphinenickel(II) - Ni(S2COC2H5)2P(C6H5)3

1986 ◽  
Vol 39 (5) ◽  
pp. 813 ◽  
Author(s):  
ERT Tiekink ◽  
G Winter
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Nickel Atom ◽  
Apical Position ◽  
Triclinic Space Group ◽  
Pyramidal Geometry ◽  
Method R ◽  
Square Pyramidal Geometry

The crystal and molecular structure of the 1:1 adduct formed between bis (O- ethylxanthato )nickel(II) and triphenylphosphine is reported. The nickel atom is five-coordinate in a distorted square-pyramidal geometry with a sulfur atom, from an asymmetrically coordinating xanthate ligand , in the apical position. Crystals are triclinic, space group Pī, a 10.265(4), b 14.718(5), c 8.818(4) Ǻ, α 100.77(3), β 92.16(4), γ 89.56(3)° with Z 2. The structure was refined by a least-squares method; R 0.068 for 3301 reflections with I ≥ 3.0σ(I).

The Crystal and Molecular Structure of catena-{Aquabis[2-methyl-2-(phenylthio)-propanoato]cadmium(II) monohydrate}

1988 ◽  
Vol 41 (11) ◽  
pp. 1769 ◽  
Author(s):  
G Smith ◽  
EJ Oreilly ◽  
CHL Kennard ◽  
TCW Mak ◽  
WH Yip ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Chelate Ring ◽  
Propanoic Acid ◽  
Cadmium Complex ◽  
Carboxylate Group ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Carboxylate Groups

The crystal structure of the cadmium complex of 2-methyl-2-(phenylthio) propanoic acid, [ Cd (C6H5SC(CH3)2CO2)2(H2O)]. H2O has been determined by X-ray diffration and refined to a residual R 0.051 for 2725 observed reflections. Crystals are orthorhombic, space group Pbca with a 10.819(2), b 9.030(1), c 47.24(2) A and Z 8. The stereochemistry about cadmium is distorted MO6S seven-coordinate with Cd -S 2.747(2)Ǻ and a Cd -O range 2.277-2.491(5)Ǻ. Bonds are from cadmium to a water, and to four oxygens from two bidentate carboxylate groups, one of which also forms a polymer link. The same carboxylate group is also involved in a five- membered (S,O) chelate ring.

Polysulfonylamine, CIII [1] Ein Hydroxylamin mit bemerkenswert kurzer O-N-B Bindung: Kristall- und Molekülstruktur von MeO-N(SO2Me)2 / Polysulfonylamines, C III [1] A Hydroxylamine with a Remarkably Short O-N Bond: Crystal and Molecular Structure of MeO-N(SO2Me)2

1998 ◽  
Vol 53 (5-6) ◽  
pp. 634-636 ◽  
Author(s):  
Martina Näveke ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Low Temperature ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Angles

Abstract The crystal structure of the known title compound was determined by low-temperature X-ray diffraction (orthorhombic, space group Pbcn, Z = 4). The molecule displays an unusually short O-N bond, a relatively long C-O bond and a moderately pyramidal O-NS2 skeleton (O-N 133.1, C-O 148.5 pm, sum of bond angles at N: 347.4°).

Crystal and Molecular Structure of Cycasin, (Z)-β-D-Glucopyranosyloxy-NNO-azoxymethane

1995 ◽  
Vol 48 (5) ◽  
pp. 1059 ◽  
Author(s):  
ME Tate ◽  
IM Delaere ◽  
GP Jones ◽  
ERT Tiekink
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Cell Dimensions ◽  
Cycas Revoluta ◽  
Unit Cell Dimensions

Characterization of cycasin , (Z)-β-D-glucopyranosyloxy-NNO-azoxymethane, from Cycas revoluta Thunb . is reported. A crystal structure analysis shows the azoxy substituents adopt a Z configuration. The colourless crystals are monoclinic, space group C2 with unit cell dimensions a 15.409(4), b 4.855(4), c 15.752(4) Ǻ, β 109.87(2)°, Z 4; the structure was refined to final R 0.033, 886 reflections with I ≥ 3.0σ(I) being used.

The crystal structure of nickel(II) dimethyldithiocarbamate

1980 ◽  
Vol 45 (8) ◽  
pp. 2147-2151 ◽  
Author(s):  
Jan Lokaj ◽  
Ján Garaj ◽  
Viktor Kettmann ◽  
Viktor Vrábel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structural Analysis ◽  
Least Squares ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Special Position ◽  
X Ray ◽  
Triclinic Unit Cell

Crystal and molecular structure of nickel(II) dimethyldithiocarbamate, Ni[S2CN(CH3)2]2 was solved by X-ray structural analysis and refined by the least squares method to R = 0.06 for 1065 reflections. The compound crystallizes in a space group P I and the triclinic unit cell has the dimensions: a = 6.521 (7), b = 6.798 (9), c = 7.633 (4), α = 67.21 (8)°, β = 67.34 (6)° γ =85.59 (9)°. The experimentally observed density is 1.75 g cm-3 and the calculated value for Z = 1 is 1.73 g cm-3. In the structure , the Ni atom occupies a special position in the centre of symmetry and is coordinated by four sulphur atoms in a plane: Ni-S 0.2218 (4) and 0.2198 nm S1-Ni-S2 angle 79.62 (8)°. The ligand S2CNC2 is nearly planar.

Crystal and Molecular Structure of 3-(N-Methoxy-N-methylcarbamoyl)- 2,2,5,5-tetramethyl-1-oxy-pyrroline

2010 ◽  
Vol 65 (4) ◽  
pp. 475-478
Author(s):  
Guido D. Frey ◽  
Eberhardt Herdtweck
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Crystal And Molecular Structure ◽  
Layer Structure ◽  
Nitroxide Radical ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Stable Nitroxide

The crystal structure of the stable nitroxide radical 3-(N-methoxy-N-methylcarbamoyl)-2,2,5,5- tetramethyl-1-oxy-pyrroline was determined from single-crystal X-ray data: orthorhombic, space group Pbca (no. 61), a = 9.0213(1), b = 12.8625(1), c = 21.2406(2) Å, V = 2464.68(4) Å3 and Z = 8. The adjacent molecules assemble to a supramolecular layer structure in the solid state, linked by two intermolecular C-H...O hydrogen bonds.

The crystal and molecular structure of aqua-bis(ethylenediamine)cupric-tris(cyano)-selenocyanatodicuprate

1982 ◽  
Vol 47 (10) ◽  
pp. 2623-2632 ◽  
Author(s):  
Viktor Vrábel ◽  
Jan Lokaj ◽  
Ján Garaj ◽  
František Pavelčík
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structural Analysis ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Triclinic System

The crystal structure of [Cu(H2O)(en)2][Cu2(CN)3(SeCN)] was solved by single crystal X-ray structural analysis in the triclinic system with a space group of P1 and in the monoclinic system with a space group of C2. In the triclinic system the unit cell has dimensions of a = 0.8445(3), b = 0.7903(3), c = 0.8444(3) nm, α = 119.58(2), β = 118.59(2) and γ = 93.63(3)° and, in the monoclinic system, a = 1.3331(4), b = 0.8670(2), c = 0.8267(3), β = 122.60(2)°. The structure was refined by the least squares method to final value of R = 5.5% in the triclinic system and R = 7.8% in the monoclinic system. The coordination sphere around the Cu(II) atom is square pyramidal, formed of two ethylenediamine molecules and one water molecule. The Cu(I) atoms are tetrahedrally coordinated by bridging SeCN and CN ligands to form infinite three-dimensional chains. The SeCN group is bonded to the Cu(I) atoms through the Se atom at distances of 0.2731(3) and 0.2745(3) nm.

Crystal and molecular structure of the tetradecahydrate of cobalt(II) (R,S)-ethylenediamine-N,N'-disuccinato-cobaltate(III)

1980 ◽  
Vol 45 (6) ◽  
pp. 1766-1774 ◽  
Author(s):  
František Pavelčík ◽  
Jiřina Soldánová ◽  
Jaroslav Majer
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Cobalt Atom ◽  
Carboxyl Groups ◽  
Water Molecules ◽  
Crystal Water ◽  
Heavy Atom Method

Crystals of Co3((R,S)-EDDS)2 . 14 H2O are monoclinic with lattice parameters a = 1.1393, b = 1.1856, c = 1.5267 nm, β = 114.6°. The space group is P21/c, Z = 2. The structure was solved by the heavy atom method and refined by the least squares method to R = 0.082. The crystals are composed of binuclear [CO2((R,S-EDDS)2]2- anions, [CO(OH2)6]2+ cations and crystal water molecules. The cobalt atom in [Co2((R,S)-EDDS)2]2- is coordinated octahedrally by two nitrogen atoms and three oxygen atoms from different carboxyl groups in a single [(R,S)-EDDS]4- molecule and one oxygen atom from a neighbouring [(R,S)-EDDS]4- molecule. The [Co(OH2)6]2+ cation is coordinated octahedrally.

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