Crystal structure of Bis(2,2':6',2''-terpyridyl)cobalt(III) chloride

1983 ◽  
Vol 36 (8) ◽  
pp. 1563 ◽  
Author(s):  
BN Figgis ◽  
ES Kucharski ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Time

The crystal structure of the title compound [CO(C15H11N3)2]Cl3 has been determined by single crystal X-ray diffraction methods at 295 K and refined by least-squares methods to a residual of 0.069 for 2953 'observed' reflections. Crystals are triclinic, PI, a 9.018(4), b 11.751(4), c 18.085(6)�, α 9O.82(6), β 9O.66(7), γ 90.79(7)�, Z 2. The determination establishes for the first time metal-nitrogen distances in the bis(terpyridyl)cobalt(III) species; (Co-N)(central, distal) are 1.86, 1.93 �. The precision of the determination is adversely affected by widespread solvent/anion disorder.

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.

O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate: structural evidence of the decomposition product and its oxalate salt

2019 ◽  
Vol 234 (9) ◽  
pp. 613-621
Author(s):  
Marc André Althoff ◽  
Jörn Frederik Martens ◽  
Marco Reichel ◽  
Manfred Metzulat ◽  
Thomas Matthias Klapötke ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Analytical Methods ◽  
Decomposition Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rearrangement Process ◽  
Study Support ◽  
First Time

Abstract The molecular and single crystal structure of O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate oxalate, as determined by single crystal X-ray diffraction studies, is described for the first time; although this compound is well-known by industry and research from the mid-20th century. The known decomposition product of pure O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate could also be structurally characterized. Additionally, the compounds are characterized by recent analytical methods e.g. NMR. The findings of our study support the thesis that the isolated decomposition product must be a by-product of the thiono-thiolo rearrangement process of the title compound.

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.

Crystal Structure of Ethyltriphenylphosphonium Bis(α,α,α',α'-tetracyanoquinodimethanide)

1979 ◽  
Vol 32 (10) ◽  
pp. 2187 ◽  
Author(s):  
RJ Fleming ◽  
MA Shaikh ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triphenyl Phosphonium

The crystal structure of the title compound, [EtPh3P]+ [(C12H4N4)2]-, has been established by single-crystal X-ray diffraction methods at 295(1) K and refined by least squares to a residual of 0�039 for 3047 'observed' reflections. Crystals are triclinic, Pī, a 8 �882(7), b 13�522(5), c 15�927(6) �, α 75�34(3), β 96�69(5), γ 100.56(3)�, Z 2. The structure closely resembles that of the methyl-triphenyl-phosphonium and -arsonium analogues, containing tetrads of α,α,α',α'- tetracyanoquino- dimethane* molecules, the molecular planes lying parallel to each other and approximately normal to b.

Crystal structure of 2,3-Dichloro-5,8-dihydroxynaphtho-1,4-quinone

1978 ◽  
Vol 31 (3) ◽  
pp. 555 ◽  
Author(s):  
GI Feutrill ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
X Ray ◽  
The One ◽  
Least Squares Techniques

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction methods and refined by least- squares techniques to a residual of 0.049 for 1046 'observed' reflections. Crystals are monoclinic, P21/c, a 11.584(6), b 5.449(7), c 15.273(8) Ǻ, β 92.44(4)°, Z4. The pair of quinol hydrogen atoms are both located on the one benzene ring as the title indicates.

Crystal structure of Aquatetrakis(N-formylpiperidine)dioxouranium(VI) Bisperchlorate

1980 ◽  
Vol 33 (1) ◽  
pp. 69 ◽  
Author(s):  
GJ Honan ◽  
DL Kepert ◽  
SF Lincoln ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Least Squares ◽  
Equatorial Plane ◽  
Title Compound ◽  
Organic Ligands ◽  
X Ray Diffraction ◽  
Uranyl Compounds ◽  
X Ray

The crystal structure of the title compound, [UO2{OCHN(CH2)5}4(H2O)] (ClO4)2, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.051 for 3113 'observed' reflections. Crystals are monoclinic, C2/c, a 16.945(2), b 12.711(2), c 17.304(2)Ǻ, β 107.76(1)°, Z 4. The uranyl moiety [U=O, 1.76(2)Ǻ] is five-coordinated in the equatorial plane by the water molecule [U-O, 2.436(8)Ǻ] and four organic ligands [U-O, 2.379(8), 2.396(13)Ǻ]. The angles O-U-O in the equatorial plane range from 70.3(3) to 73.6(3)°; O=U-0 range between 86.7 and 95.3°. The angle O=U=O is 177.8(3)°. The stereochemistry of seven-coordinate uranyl compounds is examined by using repulsion theory.

Crystal structure of fac-Tris(pentane-2,3,4-trione 3-oximato)cobalt(III)

1978 ◽  
Vol 31 (11) ◽  
pp. 2437 ◽  
Author(s):  
BN Figgis ◽  
CL Raston ◽  
RP Sharma ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Bidentate Ligands ◽  
X Ray Diffraction ◽  
X Ray ◽  
Independent Molecules

The crystal structure of the title compound has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.058 for 2363 'observed' reflections. Crystals are triclinic, Pī, Z 4, a 15.517(8), b 11.772(7), c 11.282(7) Ǻ, α 112.10(4), β 94.80(3), γ 90.60(4)°. <Co-N, O>| distances are 1.883, 1.925 Ǻ respectively, the disposition of the three bidentate ligands within each of the two independent molecules being fac.

Crystal structure of Bis(O-ethylxanthato)bis(quinolin-8-olato)tin(IV)

1978 ◽  
Vol 31 (12) ◽  
pp. 2641 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
G Winter
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Coordination Sphere ◽  
Title Compound ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Atoms

The crystal structure of the title compound, [Sn(S2COEt)2(C9H6NO)2], has been determined by single-crystal X-ray diffraction at 298 K and refined by least squares to a residual of 0.049 for 1771 ?observed? reflections. Crystals are monoclinic, P21/n, a 12.21(1), b 24.33(1), c 9.159(7) Ǻ, β 102.12(6)°, Z 4. The environment of the tin atom is six- coordinate: the two coordinating sulfur atoms of the monodentate xanthate ligands lie cis in the coordination sphere [Sn-S, 2.484(4), 2.510(4) Ǻ], and one in turn trans to the two oxine nitrogen atoms [Sn- N, 2.260(8), 2.237(10) Ǻ]. The remaining positions, trans to each other, are occupied by the oxine oxygen atoms [Sn-O, 2.047(7), 2.065(8) Ǻ]. O-Sn-O is 157.0(3)°. The overall point symmetry of the molecule is a good approximation to 2.

Crystal structure of Tris(ethane-1,2-diamine)nickel(II) diperchlorate monohydrate

1978 ◽  
Vol 31 (2) ◽  
pp. 415 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
AC Willis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Structure Determination ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Very High

The crystal structure of the title compound, [Ni(en)3] (ClO4)2,H2O, has been determined from single-crystal X-ray diffraction data at 295(1) K and refined by least squares to a residual of 0.093 for 1400 'observed' reflections. Crystals are orthorhombic, P bca, a 17.043(7), b 15.922(6), c 13.496(5) Ǻ, Z 8. The precision of the structure determination is adversely affected by very high perchlorate thermal motion. <Ni-N> is 2.13 Ǻ.

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.

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