Crystal structure of Tris(N,N-diethyldithiocarbamato)thallium(III)

1978 ◽  
Vol 31 (9) ◽  
pp. 1927 ◽  
Author(s):  
DL Kepert ◽  
CL Raston ◽  
NK Roberts ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Electron Pair ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, [Tl(S2CNEt2)3], has been determined by single-crystal X-ray diffraction methods at 295 K and refined by full-matrix least squares to a residual of 0.050 for 2517 'observed' reflections. Crystals are monoclinic, with space group A2/a, a 14.789(7), b 10.428(4), c 18.207(9) Ǻ, β 118.11(4)°, Z 4, and are isostructural with those of the previously determined gallium and indium analogues, the molecule having 2 symmetry with <Tl-S> 2.666 Ǻ. As in the dimethyl/thallium analogue, the departure of the TlS6 core symmetry from 3 is large and is examined in terms of electron-pair repulsion theory.

Crystal structure of diammonium aquapentachloroferrate(III)

1978 ◽  
Vol 31 (12) ◽  
pp. 2717 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hydrogen Bonded

The crystal structure of the title compound, (NH4)2 [FeCl5(H2O)], has been redetermined by single-crystal X-ray diffraction at 295 K and refined by full matrix least squares to a residual of 0.054 for 1662 'observed' reflections. Crystals are orthorhombic, Pnma, a 13.706(2), b 9.924(1), c 7.024(1)Ǻ Z 4. Fe-O is 2.110(4)Ǻ; Fe-Cl range between 2.323(1)Ǻ (trans to OH2) and 2.350(1)-2.390(1) Ǻ (cis), the latter distances being very dependent upon hydrogen-bonded interactions with nearby species.

Crystal Structure of Tetraethylammonium Bromopentacarbonyltungstate(0)

1995 ◽  
Vol 48 (5) ◽  
pp. 1045 ◽  
Author(s):  
T Whyte ◽  
GA Williams
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
R Value

The crystal structure of tetraethylammonium bromopentacarbonyltungstate (0), [NEt4] [W(CO)5Br], has been determined by single-crystal X-ray diffraction methods at 22�1°C. Crystals are tetragonal, space group P4/n, with a 9.206(2), c 10.484(2) Ǻ, and Z 2. Full-matrix least-squares refinement gave a final R value of 0.034 for 820 independent reflections. The [W(CO)5Br]- anion possesses exact C4v symmetry, with bond lengths W-Br 2.736(1), W-COtrans 1.93(1) and W-COcis 2.034(6) Ǻ.

Crystal Structure of Alloxan Monohydrate: A Redetermination

1989 ◽  
Vol 42 (10) ◽  
pp. 1795 ◽  
Author(s):  
JM Harrowfield ◽  
BW Skelton ◽  
AA Soudi ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Interatomic Distances ◽  
Full Matrix ◽  
X Ray ◽  
Alloxan Monohydrate ◽  
Long Chain

The structure of the title compound, C4H4N2O5, has been redetermined by single-crystal X-ray diffraction methods at c. 295 K. Crystals are triclinic, P1, a 8.217(2), b 6.809(2), c 5.765(4) �, α 66.49(3),β 81.87(3), γ 74.35(2)�, Z= 2; the structure was refined by full-matrix least squares to a residual of 0.042 for 2190 independent 'observed' reflections, typical non-hydrogen interatomic distances being determined with estimated standard deviations of 0.001 �. Together with the recent precise redetermination of the structure of alloxan , these results allow comparison of the geometries of essentially planar polycarbonyl (-hydrate) arrays with those of long-chain arrays previously recorded.

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.

Crystal structure of (1,7,8,9-η-Bicyclo[5,2,0]nona-1(7),2,5,8-tetraen-4-one)tricarbonyliron(0)

1978 ◽  
Vol 31 (7) ◽  
pp. 1619 ◽  
Author(s):  
SR Hall ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Iron Atom ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound, [Fe(CO)3(C9H6O)], has been determined from single-crystal X-ray diffraction data at 295 K and refined by full-matrix least squares to a residual of 0.039 (2160 'observed' reflections). Crystals are monoclinic, P21/c, a 9.326(5), b 12.293(5), c 10.342(4) Ǻ, β 115.77(3)°, Z 4. The iron atom is symmetrically bound to the four atoms of the cyclobutadiene ring (<Fe- C> 2.055 Ǻ).

scholarly journals Crystal Structure of Methanethiolatomercury(II) Chloride

1979 ◽  
Vol 32 (5) ◽  
pp. 1165 ◽  
Author(s):  
AJ Canty ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray

The crystal structure of the title compound, MeSHgCl, has been determined by single-crystal X-ray diffraction at 295 K and refined by full-matrix least squares to a residual of 0.048 for 787 'observed' reflections. Crystals are monoclinic, P21/c, a 7.490(4), b 7.395(2), c 7.815(3) �,β 92.93(4)�, Z 4, and are isostructural with the previously described MeSHgBr.

Crystal structure of the acetic acid solvate of the molybdenum(II) acetate/sodium acetate double salt

1980 ◽  
Vol 33 (8) ◽  
pp. 1847 ◽  
Author(s):  
DL Kepert ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Sodium Acetate ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, Mo2(O2CCH3)4,Na+ - O2CCH3,HO2CCH3, has been determined by single crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.040 for 1529 'observed' reflections. Crystals are monoclinic, space group I2/c, a 8.251(5), b 18.468(9), c 13.674(6) Ǻ, β 100.25(4)°, Z 4. The compound is shown to have the above stoichiometry, containing the usual binuclear molybdenum(II) acetate cluster together with pairs of hydrogen-bonded acetic acid/acetate units.

Crystal structure of ab-Bis(3-methylpyridine)-dc,fe-bis(pentane-2,3,4-trione 3-oximato)iron(II)

1978 ◽  
Vol 31 (11) ◽  
pp. 2431 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Chelate Ligands

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction and refined by least squares to a residual of 0.062. Crystals are monoclinic, P2/c, a 19.102(8), b 8.117(4), c 16.610(8) Ǻ, β 111.90(3)°, Z. Unlike the tris(α-oxyimino ketonato)iron(II) complexes which are fac, the present derivative is based upon substitution of the two picoline moieties into a mer derivative, trans to the nitrogen atoms of the chelate ligands. <Fe- N(picoline)> is 2.020; <Fe-N, O(chelate)> 1.880, 1.952 Ǻ.

The crystal structure of Tris(1,10-phenanthroline)osmium(II) Bis(perchlorate) monohydrate and its implications for electron-pair repulsion theory

1984 ◽  
Vol 37 (9) ◽  
pp. 1817 ◽  
Author(s):  
HA Goodwin ◽  
DL Kepert ◽  
JM Patrick ◽  
BW keltn ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Electron Pair ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of the title compound, [Os(phen)3](ClO4)2.c. 1H2O, has been determined by single-crystal X-ray diffraction methods at 295 K, being refined to a residual of 0.043 for 3477 'observed' independent reflections. Crystals are monoclinic, C2/c, a 35.94(2), b 16.020(5), c 12.370(5) �, β 102.38(3)�, Z 8, and are isostructural with the copper(II) analogue. Osmium-nitrogen distances range from 2.066(7) to 2,082(7) � (mean, 2.075 �). Departures of the stereochemistry of tris- (α, α'-diimine)metal systems from the expectations of electron-pair repulsion theory are examined.

Crystal structure of Tetracyclo[5,3,1,12,6,04,9]dodecane (iceane)

1977 ◽  
Vol 30 (8) ◽  
pp. 1837 ◽  
Author(s):  
DPG Hamon ◽  
CL Raston ◽  
GF Taylor ◽  
JN Varghese ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rigid Body ◽  
Least Squares ◽  
Title Compound ◽  
Molecular Geometry ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Hexagonal Close Packed

The crystal structure of the title compound, C12H18, has been determined at 295 K by X-ray diffraction and refined by full-matrix least squares to a residual of 0.049 for 216 ?observed? reflections; molecular geometry has been corrected for the effects of thermal motion using a rigid body approximation. Crystals are hexagonal, P63/m, a = 6.582(1), c = 11.843(3) Ǻ, Z = 2, the molecules occupying a hexagonal close- packed array.

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