Crystal structure of Carbonatohydroxo(2,2':6',2'-terpyridyl)cobalt(III) tetrahydrate

1978 ◽  
Vol 31 (1) ◽  
pp. 47 ◽  
Author(s):  
ES Kucharski ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Transition Metal ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
The Other ◽  
X Ray Diffraction ◽  
Hydroxide Ion ◽  
X Ray

The crystal structure of the title compound, [Co(terpy)(CO3)(OH)],4H2O, has been determined at 295 K by single-crystal X-ray diffraction and the use of diffractometer data, and refined by least squares to a residual of 0.075 for 1354 ?observed? reflections. Crystals are triclinic, Pī, a 11.407(6), b 10.566(6), c 8.445(4) Ǻ, α 100.21(5), β 107.35(5), γ 102.18(5)°, Z2. The structure of the molecule is unusual for a 1 : 1 transition metal/terpy complex in that the other ligating atoms are non-halide and the complex six-coordinate. The remaining three coordination positions about the metal are occupied by the bidentate carbonate (Co-O 1.918(9), 1.918(8) Ǻ) and the hydroxide ion (Co-O 1.894(10) Ǻ). The Co-N distances are appreciably shorter than those observed in other terpy systems (Co-N(central) 1.848(8); Co-N(outer) 1.946(9), 1.952(9) Ǻ).

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'.

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 Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

1979 ◽  
Vol 32 (2) ◽  
pp. 301 ◽  
Author(s):  
V Diakiw ◽  
TW Hambley ◽  
DL Kepert ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Title Compound ◽  
Lattice Site ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triangular Face ◽  
X Ray

The crystal structure of the title compound, Ca(C6H2N307)2,5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b l0.292(7), c 8.554(2) �, Z 4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2- (unidentate)4]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

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.

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