scholarly journals Synthesis and crystal structure of a heterobimetallic nickel–manganese 12-metallacrown-4 methanol disolvate monohydrate compound

2020 ◽  
Vol 76 (11) ◽  
pp. 1720-1724
Author(s):  
Abigail J. Hall ◽  
Matthias Zeller ◽  
Curtis M. Zaleski
Keyword(s):  
Crystal Structure ◽  
Interstitial Water ◽  
Repeat Unit ◽  
Inversion Center ◽  
Teller Distortion ◽  
Coordination Environment ◽  
Synthesis And Crystal Structure ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Nickel Manganese

The synthesis and crystal structure of the title compound [systematic name: di-μ-acetato-tetrakis(μ4-N,2-dioxidobenzene-1-carboximidato)hexamethanoltetramanganese(III)nickel(II) methanol disolvate monohydrate], [Mn4Ni(C7H4NO3)4(C2H3O2)2(CH4O)6]·2CH4O·H2O or Ni(OAc)2[12-MCMn(III)N(shi)-4](CH3OH)6·2CH3OH·H2O, where MC is metallacrown, −OAc is acetate, and shi3− is salicylhydroximate, are reported. The macrocyclic metallacrown is positioned on an inversion center located on the NiII ion that resides in the central MC cavity. The macrocycle consists of an MnIII–N–O repeat unit that recurs four times to generate an overall square-shaped molecule. Both the NiII and MnIII ions are six-coordinate with an octahedral geometry. In addition, the MnIII ions possess an elongated Jahn–Teller distortion along the z-axis of the coordination environment. The interstitial water molecule is slightly offset from and disordered about an inversion center.

An investigation of the electron density of a Jahn–Teller-distorted CrIIcation: the crystal structure and charge density of hexakis(acetonitrile-κN)chromium(II) bis(tetraphenylborate) acetonitrile disolvate

2015 ◽  
Vol 71 (11) ◽  
pp. 936-943 ◽  
Author(s):  
Arumugam Thangavel ◽  
Marika Wieliczko ◽  
Christopher Scarborough ◽  
Birger Dittrich ◽  
John Bacsa
Keyword(s):  
Crystal Structure ◽  
Electron Density ◽  
Topological Analysis ◽  
Electronic Density ◽  
Teller Distortion ◽  
X Ray ◽  
Structure Factors ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Detailed Picture

In the crystal structure of the title homoleptic CrIIcomplex, [Cr(CH3CN)6](C24H20B)2·CH3CN, the [Cr(CH3CN)6]2+cation is a high-spind4complex with strong static, rather than dynamic, Jahn–Teller distortion. The electron density of the cation was determined by single-crystal X-ray refinements using aspherical structure factors from wavefunction calculations. The detailed picture of the electronic density allowed us to assess the extent and directionality of the Jahn–Teller distortion of the CrIIcation away from idealized octahedral symmetry. The topological analysis of the asphericald-electron density about the CrIIcation showed that there are significant valence charge concentrations along the axial Cr—N axes. Likewise, there were significant valence charge depletions about the CrIIcation along the equatorial Cr—N bonds. These charge concentrations are in accordance with a Jahn–Teller-distorted six-coordinate complex.

Zur Struktur der Kupfer-Weberite Na2CuCrF7 und Na2CuFeF7 / Concerning the Structures of the Copper Weberites Na2CuCrF7 and Na2CuFeF7

1988 ◽  
Vol 43 (6) ◽  
pp. 694-701 ◽  
Author(s):  
S. Kummer ◽  
W. Massa ◽  
D. Babel
Keyword(s):  
Crystal Structure ◽  
The Body ◽  
Intermediate Type ◽  
Teller Distortion ◽  
Mean Values ◽  
Space Group ◽  
Preliminary Results ◽  
Jahn Teller ◽  
Jahn Teller Distortion

AbstractThe crystal structure of the compound Na-CuCrF7 (orthorhombic, a = 710.0, b = 1033.8, c = 751.8 pm, Z = 4) was refined in space group Pmnb to Rg= 0.028 (1545 independent reflections). The Jahn-Teller distortion of the CuF6 -octahedra (Cu-F = 191.1/193.8/212.4 pm. mean 199.1 pm) reduces the symmetry compared to the body-centered orthorhombic weberite type, to which it is otherwise closely related. The CrF6 -octahedra. interconnecting parallel chains of CuF6 -octahedra, are nearly undistorted (mean Cr-F = 190.6 pm). Na2CuFeF7 exhibits a supercell with a different structure (monoclinic, a = 2468.7, b = 734.7, c = 1245.2 pm, β = 99.29°, Z = 16). It may be interpreted as a new intermediate type between orthorhombic and trigonal weberites. Preliminary results obtained from refinement in space group A2/n (Rg = 0.076) are given and discussed (mean values Cu-F = 199 pm, Fe - F = 192 pm).

The Preparation and Crystal Structure of Ammonium Bis[citrato(3-)]cuprate(II)

1991 ◽  
Vol 44 (10) ◽  
pp. 1495 ◽  
Author(s):  
RC Bott ◽  
DS Sagatys ◽  
DE Lynch ◽  
G Smith ◽  
CHL Kennard ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Citric Acid ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Teller Distortion ◽  
Space Group ◽  
X Ray ◽  
Jahn Teller ◽  
A Cell ◽  
Jahn Teller Distortion

The copper(II) complex with citric acid (NH4)4 [Cu(C6H5O7)2] has been prepared, and its structure determined by X-ray diffraction, giving a residual R 0.035 for 1208 observed reflections. Crystals are monoclinic, space group P21/c with Z 2 in a cell of dimensions a 8.755(3), b 13.185(4), c 9.364(2)Ǻ, β 113.73(2)°. The complex is a centrosymmetric six-coordinate monomer which is isomorphous with ammonium zinc(II) citrate. However, the Cu-O(hydroxyl) bonds [2.341(3)Ǻ] show Jahn-Teller distortion relative to the Cu-O(carboxyl) bonds [1.969(3) and 1.977(3)Ǻ].

CRYSTALLOGRAPHIC FEATURES OF THE TRANSITIONAL STATE IN La1-xSrxTiO3

2000 ◽  
Vol 14 (29n31) ◽  
pp. 3322-3327
Author(s):  
M. ARAO ◽  
Y. KOYAMA ◽  
Y. INOUE
Keyword(s):  
Crystal Structure ◽  
Electron Microscopy ◽  
Hole Concentration ◽  
Teller Distortion ◽  
Transitional State ◽  
Transmission Electron ◽  
Electronic Phase ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
O Phase

Crystallographic features of the transitional state in La 1-x Sr x TiO 3 around x=0.05 have been examined by transmission electron microscopy. In the transitional state, the insulating O′ regions with the size of about 3nm are distributed in the metallic O* matrix. Note that the O′ and O* phases have the Pbnm structures with the Jahn-Teller distortion and without it, respectively. Because the hole concentration of the O* phase is higher than that of the O′ phase, the transitional state is therefore characterized by the static electronic phase separation. In addition, it was also found that the crystal structure of the O′ phase should involve not only the (3z2-r2)-type Jahn-Teller displacement with q=0 but also the (x2-y2)-type one with q=<1/2 1/2 0 >c in the cubic Brillouin zone.

scholarly journals Crystal structure of bis{2-[(2-hydroxyethyl)amino]ethanol-κ3O,N,O′}copper(II) terephthalate

2014 ◽  
Vol 70 (11) ◽  
pp. m372-m373 ◽  
Author(s):  
Ya-Ping Li ◽  
Dajun Sun ◽  
Julia Ming ◽  
Liying Han ◽  
Guan-Fang Su
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Teller Distortion ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Molecular Components ◽  
Jahn Teller Distortion

The molecular components of the title salt, [Cu(C4H11NO2)2](C8H4O4), are one CuIIcationO,N,O′-chelated by two tridentate 2-[(2-hydroxyethyl)amino]ethanol ligands, and a terephthalate counter-dianion, located about a centre of inversion. The complex CuIIcation is located about a centre of inversion and shows typical Jahn–Teller distortion, with two short Cu—O and two short Cu—N bonds in the equatorial plane and two long Cu—O bonds to the axial atoms. The cations are arranged in sheets parallel to (100), with the centrosymmetric terephthalate anions located between the sheets. Each anion is the acceptor of four O—H...O and two N—H...O hydrogen bonds, forming a three-dimensional network structure.

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