Metal Coordination Architectures of 1,4-Bis(imidazol-1-ylmethyl)naphthalene:  Syntheses, Crystal Structures, and Theoretical Investigations on the Coordination Properties of the Ligand

2007 ◽  
Vol 7 (2) ◽  
pp. 286-295 ◽  
Author(s):  
Cai-Yun Li ◽  
Chun-Sen Liu ◽  
Jian-Rong Li ◽  
Xian-He Bu
Keyword(s):  
Crystal Structures ◽  
Metal Coordination ◽  
Coordination Properties ◽  
Theoretical Investigations

scholarly journals Intermolecular interaction energies in transition metal coordination compounds

CrystEngComm ◽  
2015 ◽  
Vol 17 (48) ◽  
pp. 9300-9310 ◽  
Author(s):  
Andrew G. P. Maloney ◽  
Peter A. Wood ◽  
Simon Parsons
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Crystal Structures ◽  
Intermolecular Interaction ◽  
Coordination Compounds ◽  
Metal Coordination ◽  
Interaction Energies

The PIXEL method has been parameterised and validated for transition metals, extending its applicability from ~40% to ~85% of all published crystal structures.

scholarly journals Complexes with macrocyclic ligands. II. The crystal structures of HgCl2•18-crown-6 and CdCl2•18-crown-6, and the FAB mass spectrum of HgCl2•18-crown-6

1984 ◽  
Vol 62 (2) ◽  
pp. 332-335 ◽  
Author(s):  
Christopher Robin Paige ◽  
Mary Frances Richardson
Keyword(s):  
Mass Spectrum ◽  
Crystal Structures ◽  
Macrocyclic Ligands ◽  
Metal Coordination ◽  
Chlorine Atoms ◽  
Space Group

HgCl2 and CdCl2 form 1:1 complexes with 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6). The complexes are isostructural. The metal coordination is hexagonal bipyramidal, with chlorine atoms strongly coordinated in the axial positions and the 18-crown-6 in the equatorial place. The symmetry of the complex is crystallographically required to be [Formula: see text], but is very nearly [Formula: see text]. The Hg—Cl, Hg—O, Cd—Cl, and Cd—O distances are 2.314(1), 2.825(4), 2.3645(5), and 2.752(1) Å, respectively. Crystals of HgCl2•18-crown-6 are rhombohedral, space group [Formula: see text], a = 7.746(2) Å, α = 95.26(3)°, Z = 1 unit of HgCl2C12H24O6, R = 0.026 for 543 independent reflections with θ < 25°, I > 3σ(I). Crystals of CdCl2•18-crown-6 are also rhombohedral, space group [Formula: see text], a = 7.712(3) Å, α = 95.57(2)°, Z = 1 unit of CdCl2C12H24O6, R = 0.022 for 534 independent reflections with θ < 25°, I > 3σ(I).

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