Structural Characterization of a [Cl3CuL]- (L=Nitrogen Base) Species. A Novel Coordination Environment for Copper(II)

1985 ◽  
Vol 38 (5) ◽  
pp. 669 ◽  
Author(s):  
PC Healy ◽  
C Pakawatchai ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Structural Characterization ◽  
The Other ◽  
X Ray Diffraction ◽  
Nitrogen Base ◽  
Coordination Environment ◽  
X Ray

The crystal structure of [C13H10N] [CuCl3(C13H9N)].H2O(C13H9N ≡ acridine ) has been determined by single-crystal X-ray diffraction methods at 295 K, being refined by least squares to a residual of 0.037 for 1942 independent 'observed' reflections. Crystals are triclinic, Pī , a 16.27(2), b 10.080(8), c 7.236(5) Ǻ, α 88.85(6), β 82.68(8), γ 81.12(9)°, Z 2. The metal atom stereochemistry is unusual, being of pseudo-m symmetry; one of the chlorine atoms is coplanar with the copper and the acridine [Cu- Cl 2.237(2) Ǻ, N-Cu- Cl 143.5(1)°], with the other two disposed to either side of that plane [Cu- Cl 2.252(3), 2.243(2) Ǻ; Cl-Cu-Cl 145.62(7)°]. Cu-N is 2.018(5) Ǻ.

Reactions of tin(II) and tin(IV) xanthates: crystal structure of Tetrakis(O-ethylxanthato)tin(IV)

1978 ◽  
Vol 31 (7) ◽  
pp. 1493 ◽  
Author(s):  
CL Raston ◽  
PR Tennant ◽  
AH White ◽  
G Winter
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Coordination Sphere ◽  
The Other ◽  
X Ray Diffraction ◽  
Coordination Environment ◽  
X Ray ◽  
Monodentate Ligands

Tin(II) xanthates form adducts with donor molecules and react with excess xanthate to form the tris-xanthato ion, Sn(EtOCS2)3-. No such reactions are observed with tin(IV) xanthates. Reaction of quinolin-8- ol with tin(IV) ethylxanthate results in the replacement of two xanthate moieties by two oxinato ions. ��� The crystal structure of [Sn(EtOCS2)4] has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.038 for 2378 'observed' reflections. The tin(IV) coordination environment resembles that observed in the N,N- diethyldithiocarbamate analogue, two of the xanthate ligands being monodentate and coordinating cis [Sn-S, 2.488(2), 2.499(2) Ǻ] in the six-coordinate coordination sphere while the other two ligands are bidentate, the Sn-S distances trans to the monodentate ligands being slightly longer [2.617(2), 2.627(2)Ǻ] than the other two [2.562(2), 2.539(2)Ǻ]. Crystals are monoclinic, P21/c, a 10.341(5), b 10.465(4), c 21.88(1) Ǻ, β 98.36(4)°, Z 4.

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).

scholarly journals Synthesis and structural characterization of new polyether complexes of germanium(II) and tin(II)

2018 ◽  
Vol 96 (6) ◽  
pp. 570-577 ◽  
Author(s):  
Alina M. Secara ◽  
Justin F. Binder ◽  
Ala’aeddeen Swidan ◽  
Charles L.B. Macdonald
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
Water Molecule ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
X Ray

A series of germanium(II) and tin(II) bromide polyether complexes have been synthesized. Specifically, [GeBr([15]crown-5)][GeBr3], [GeBr([18]crown-6)][GeBr3], [GeBr(triglyme)][GeBr3], [GeBr(tetraglyme)][GeBr3], [SnBr([18]crown-6)][SnBr3], [Sn([15]crown-5)2][SnBr3]2, [SnBr(triglyme)][SnBr3], and [SnBr(tetraglyme)][SnBr3] have been fully characterized including by single crystal X-ray diffraction. The synthesis of [GeBr(dibenzo[24]crown-8)][GeBr3] and [GeCl(dibenzo[24]crown-8)][GeCl3] are also reported, along with the crystal structure of the latter’s water adduct, which features a water molecule adjacent to the GeCl+ ion within the cavity of the crown ether.

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'.

scholarly journals Synthesis and Structural Characterization of ‘Non-VSEPR’ Structures of Oxo-Tungsten Complex

2011 ◽  
Vol 8 (s1) ◽  
pp. S323-S329
Author(s):  
Shahriare Ghammamy ◽  
Hajar Sahebalzamani
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structural Characterization ◽  
Direct Methods ◽  
Donor Ligands ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cis And Trans

The crystal structure of [(CH3)4N]4[WOCl4F][WO3Cl4] was determined by single crystal x-ray diffraction technique. The crystal is monoclinic, space group C 2/m, with a= 28.23(10) Å, b= 11.60(4) Å,c= 13.48(5) Å, β=118.43(7)°, V= 3886(2)Å3, Z=4. The structure was solved by direct methods and refined by least-squares methods to a final R = 0.0512 for 3825 observed reflections with I>2σ(I). In crystal there are two crystallographic distinct anions, both with cis geometry; the O-W-F and O-W-O angles are 97.5(3)° and 103.1(3) ° respectively. All structures are cis configurations that confirm a preference for angles below 90° and 180° between cis and trans σ-donor ligands, respectively.

Molecular tapes in the structure of isoguaninium chloride

2017 ◽  
Vol 74 (1) ◽  
pp. 108-112 ◽  
Author(s):  
Urszula Anna Budniak ◽  
Paulina Maria Dominiak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Charge Density ◽  
Interaction Energy ◽  
Electrostatic Interaction ◽  
Electrostatic Interactions ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Structure

Isoguanine, an analogue of guanine, is of intrinsic interest as a noncanonical nucleobase. The crystal structure of isoguaninium chloride (systematic name: 6-amino-2-oxo-1H,7H-purin-3-ium chloride), C5H6N5O+·Cl−, has been determined by single-crystal X-ray diffraction. Structure analysis was supported by electrostatic interaction energy (E es) calculations based on charge density reconstructed with the UBDB databank. In the structure, two kinds of molecular tapes are observed, one parallel to (010) and the other parallel to (50\overline{4}). The tapes are formed by dimers of isoguaninium cations interacting with chloride anions. E es analysis indicates that cations in one kind of tape are oriented so as to minimize repulsive electrostatic interactions.

Structural Systematics of Rare Earth Complexes. VII. Crystal Structure of Bis(2,2'/6',2␛-Terpyridinium) Octaaquaterbium(III) Heptachloride Hydrate

1994 ◽  
Vol 47 (2) ◽  
pp. 391 ◽  
Author(s):  
CJ Kepert ◽  
BW Skeleton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Structural Characterization ◽  
Title Compound ◽  
Room Temperature ◽  
Chloride Ions ◽  
Full Matrix ◽  
X Ray

The room-temperature single-crystal X-ray structural characterization of the title compound (tpyH2)2[Tb(OH2)8]Cl7.~2⅓H2O is recorded. Crystals are triclinic, Pī , a 17.063(5), b 16.243(3), c 7.878(3) Ǻ, α 84.78(2), β 84.39(3), γ 87.81(2)°, Z = 2 formula units; 3167 'observed' diffractometer reflections were refined by full-matrix least-squares procedures to a residual of 0.057. Notable features of interest of the compound are the 'chelation' of chloride ions by the terpyridinium cations , and the existence of a free [Tb(OH2)8]2+ cation in the presence of an abundance of chloride ions.

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.

Synthesis and Structure of and Cation Distribution in the Zirconium Cluster Rb[(Zr6C)Cl15]

2008 ◽  
Vol 63 (5) ◽  
pp. 507-512 ◽  
Author(s):  
Henning W. Rohm ◽  
Martin Köckerling
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Cation Distribution ◽  
Type Structure ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coulombic Interactions ◽  
Cluster Network ◽  
Zirconium Cluster

Rb[(Zr6C)Cl15] was prepared by heating ZrCl4, Zr powder, RbCl and Al4C3 at 850 °C for 21 days. The crystal structure was determined by single crystal X-ray diffraction (space group Pmma, a = 18.484(3), b = 18.962(2), c = 9.708(1) Å, V = 2505.4(6) Å3, and Z = 4). Rb[(Zr6C)Cl15] crystallises in the Cs[Nb6Cl15]-type structure. It is built up from two interconnected types of cluster chains, one with linear Zr−Cla−a-Zr bridges, the other one with bent bridges. The rubidium cations are spread over three different sites within the cluster network which differs significantly from the cation distribution in the comparable potassium and caesium phases. The cation distribution can be rationalised considering the size of the cavities and the Coulombic interactions.

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