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 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 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 (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 ferromagnetic polymer potassium Bis(carbonato)cuprate(II)

1980 ◽  
Vol 33 (2) ◽  
pp. 431 ◽  
Author(s):  
A Farrand ◽  
AK Gregson ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Square Planar

The crystal structure of the title compound, K2Cu(CO3)2, has been determined by single-crystal X-ray diffraction at 295(1) K, and refined by least squares to a residual of 0.027 for 1441 'observed' reflections. Crystals are orthorhombic, space group Fdd2, a 11.425(3), b 17.658(4), c 6.154(2) A, Z 8. The structure comprises potassium cations embedded in an infinite three-dimensional polymeric anionic array of square-planar coordinated copper atoms with bridging carbonate groups [Cu-O 1.934(2), 1.936(2) Ǻ]. Within the latter, the non- coordinating oxygen-carbon bond is shorter [1.259(3) Ǻ] than the other two [1.303(3), 1.307(2) Ǻ] and the O-C-O angle opposite it is correspondingly reduced to 117.1(2)°. The CO3 plane lies at 83.9° to the CuO4 'plane'.

Preparation and Structure of Dibromobis(N,N-diethyldithiocarbamato)-thionitrosyltechnetium(III)

1991 ◽  
Vol 44 (8) ◽  
pp. 1125 ◽  
Author(s):  
J Baldas ◽  
SF Colmanet ◽  
GA Williams
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Trans Influence ◽  
R Value

The title compound, [Tc (NS)(S2CNEt2)2Br2], has been prepared by the reaction of [ TcN (S2CNEt2)2] with SOBr2, and its crystal structure has been determined by single-crystal X-ray diffraction methods at 23�1°C. Crystals are orthorhombic, space group Pnma , with a 14.864(7), b 15.857(7), c 8.938(4)Ǻ, and Z 4. Full-matrix least-squares refinement gave a final R value of 0.047 for 1685 independent reflections. The technetium atom is seven-coordinate with a distorted pentagonal- bipyramidal coordination geometry. The thionitrosyl ligand and a bromo ligand occupy the axial positions, with the thionitrosyl group exerting a small trans influence with Tc-Brtrans 2.595(1) and Tc-Brcis 2.564(1)Ǻ. The coordination of the thionitrosyl group is essentially linear with Tc -N=S 177.2(7)°, Tc -N 1.754(9), and N=S 1.504(9)Ǻ.

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.

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.

Crystal structure of (Z)-Cembr-4-ene-15,19,20-triol

1977 ◽  
Vol 30 (12) ◽  
pp. 2723 ◽  
Author(s):  
EN Maslen ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Relative Configuration ◽  
Macrocyclic Ring ◽  
X Ray

The crystal structure of the title compound, CZOH3803 [compound (1) in ref.'], has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.045 for 954 'observed' reflections. Crystals are monoclinic, P2', a 9.281(2), b 17.798(6), c 6.417(1) A, B 93.81(3)", Z 2. The structure determination establishes the relative configuration of the chiral centres within the 14-membered macrocyclic ring and shows the double bond to have the unusual (Z) configuration.

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