ChemInform Abstract: STRUCTURE AND STEREOCHEMISTRY IN F-BLOCK COMPLEXES OF HIGH COORDINATION NUMBER. PART 5. TEN-COORDINATION: THE CRYSTAL STRUCTURES OF TETRAPOTASSIU TETRAOXALATOURANATE(IV) TETRAHYDRATE (ORTHORHOMBIC AND TRICLINIC PHASES) BICAPPED SQUARE

1983 ◽  
Vol 14 (24) ◽  
Author(s):  
M. C. FAVAS ◽  
D. L. KEPERT ◽  
J. M. PATRICK ◽  
A. H. WHITE
1983 ◽  
Vol 36 (3) ◽  
pp. 477 ◽  
Author(s):  
DL Kepert ◽  
JM Patrick ◽  
AH White

The crystal structure of the title compound [EuCl2(OH2)2]Cl ('europium trichloride hexahydrate') has been redetermined from single-crystal diffractometer data at 295 K and refined to a residual of 0.040 for 1094 independent 'observed' reflections. Crystals are monoclinic, P2/n, a 9.659(3), b 6.529(2), c 7.936(4) �, β 93.67(4)�, Z 2. The europium atom lies on a crystallographic twofold axis, which passes between the two planes of a square-antiprismatic coordination environment in which the two chlorine atoms, on opposite faces, lie cis to each other. Eu-O distances range from 2.401(6) to 2.431(5) �; Eu-Cl is 2.774(2) �.


1983 ◽  
Vol 36 (3) ◽  
pp. 483 ◽  
Author(s):  
JM Harrowfield ◽  
DL Kepert ◽  
JM Patrick ◽  
AH White

The crystal structures of the nonahydrates of the rare earth trifluoromethanesulfonates, [M(OH2)9] [CF3SO3]3 have been determined at 295 K for the configurations fO, f7, f14, i.e. M = La, Gd, Lu, together with that of the yttrium analogue. The structures are similar to those of the rare earth ethyl sulfate nonahydrates, belonging to space group P6,/m (hexagonal) with cell dimensions a ≈ 13.7, c ≈ 7.5 �, Z 2, with the coordination about the rare earth atom being a tricapped trigonal prism. The structure is compared with that found from repulsion energy calculations.


2012 ◽  
Vol 124 (51) ◽  
pp. 12860-12865 ◽  
Author(s):  
Nicolas Pazos-Perez ◽  
Claudia Simone Wagner ◽  
Jose M. Romo-Herrera ◽  
Luis M. Liz-Marzán ◽  
F Javier García de Abajo ◽  
...  

2020 ◽  
Author(s):  
Shuxian Hu ◽  
Peng Zhang ◽  
wenli zou ◽  
ping zhang

<p>The coordination number of a given element behaving to understand its chemistry shows a great interest, which greatly promotes the extension and development of new materials, but remains challenging. Herein we report a new record high coordination number (CN) for actinide established in the cage-like An(BH)<sub>24</sub> (An = Th to Cm) via using relativistic quantum chemistry methods. Analysis of U(BH)<sub>n</sub> (n = 1 to 24) confirms these series of systems being as geometric minima, with the BH as a ligand located in the first shell around the uranium. Contrast, global searches reveal the low CN half-cage structure for UB<sub>24</sub>, which is extended to the series of AnB<sub>24</sub> and prevails over the competing structural isomers such as cage. The intrinsic geometric difference for AnB<sub>24 </sub>and An(BH)<sub>24</sub> mainly arise from the B sp<sup>3</sup> hybridization in borane inducing strong interactions between An 5f6d7s hybrid orbitals and B 2p<sub>z</sub> orbitals in An(BH)<sub>24</sub> comparing to that of AnB<sub>24</sub>. The fundamental trend presents a valuable insight for future experimental endeavor searching for isolable complexes with high-coordination actinide and provides a new structural motif of boron clusters and nanostructures.<br></p>


Sign in / Sign up

Export Citation Format

Share Document