scholarly journals Crystal structure of a trifluoromethyl benzoato quadruple-bonded dimolybdenum complex

2022 ◽  
Vol 78 (2) ◽  
Author(s):  
Elisabeth Aigeldinger ◽  
Lilliana Brandao ◽  
Troy Powell ◽  
Alaina C. Hartnett ◽  
Rui Sun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Transition Metals ◽  
Inversion Symmetry ◽  
State Structure ◽  
Carboxylate Ligands ◽  
Solid State Structure ◽  
Quadruple Bonds ◽  
Solvent Molecules ◽  
Low Symmetry

The study of quadruple bonds between transition metals, in particular those of dimolybdenum, has revealed much about the two-electron bond. The solid-state structure of the quadruple-bonded dimolybdenum(II) complex tetrakis(μ-4-trifluoromethylbenzoato-κ2 O:O′)dimolybdenum(II) 0.762-pentane 0.238-tetrahydrofuran solvate, [Mo2(p-O2CC6H4CF3)4·2THF]·0.762C5H12·0.238C4H8O or [Mo2(C8H4F3O2)4(C4H8O)2]·0.762C5H12·0.238C4H8O is reported. The complex crystallizes within a triclinic cell and low symmetry (P\overline{1}) results from the intercalated pentane/THF solvent molecules. The paddlewheel structure at 100 K has inversion symmetry and comprises four bridging carboxylate ligands encases the Mo2(II,II) core that is characterized by two axially coordinated THF molecules and an Mo—Mo distance of 2.1098 (7) Å.

scholarly journals Crystal structure of a dimeric β-diketiminate magnesium complex

2016 ◽  
Vol 72 (12) ◽  
pp. 1754-1756 ◽  
Author(s):  
Connor S. MacNeil ◽  
Kevin R. D. Johnson ◽  
Paul G. Hayes ◽  
René T. Boeré
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Least Squares ◽  
Site Symmetry ◽  
State Structure ◽  
Crystallographic Site ◽  
Solid State Structure ◽  
Mirror Site ◽  
Independent Molecules ◽  
Solvent Molecules

The solid-state structure of a dimeric β-diketiminate magnesium(II) complex is discussed. The compound, di-μ-iodido-bis[({4-amino-1,5-bis[2,6-bis(propan-2-yl)phenyl]pent-3-en-2-ylidene}azanido-κ2N,N′)magnesium(II)] toluene sesquisolvate, [Mg2(C29H41N2)2I2]·1.5C7H8, crystallizes as two independent molecules, each with 2/mcrystallographic site symmetry, located at Wyckoff sites 2cand 2d. These have symmetry-equivalent magnesium atoms bridged by μ-iodide ligands with very similar Mg—I distances. The two Mg atoms are located slightly below (∼0.5 Å) the least-squares plane defined by N–C—C–N atoms in the ligand scaffold, and are approximately tetrahedrally coordinated. One and one-half toluene solvent molecules are disordered with respect to mirror-site symmetry at Wyckoff sites 4iand 2a, respectively. In the former case, two toluene molecules interact in an off-center parallel stacking arrangement; the shortest C to C′ (π–π) distance of 3.72 (1) Å was measured for this interaction.

scholarly journals Crystal structure of 2-cyano-1-methylpyridinium tetrafluoroborate

2015 ◽  
Vol 71 (10) ◽  
pp. o697-o698 ◽  
Author(s):  
Francesca A. Vaccaro ◽  
Lynn V. Koplitz ◽  
Joel T. Mague
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
State Structure ◽  
Solid State Structure ◽  
Two Component

The asymmetric unit of the title salt, C7H7N2+·BF4−, comprises two independent but nearly identical formula units. The solid-state structure comprises corrugated layers of cations and anions, formed by C—H...F hydrogen bonding, that are approximately parallel to (010). Further C—H...F hydrogen bonding consolidates the three-dimensional architecture. The sample was refined as a two-component non-merohedral twin.

Calcium nickel orthophosphate: crystal structure of Ca8.5Ni9.5(PO4)12

1995 ◽  
Vol 210 (11) ◽  
Author(s):  
B. Elbali ◽  
A. Boukhari ◽  
E. M. Holt ◽  
J. Aride
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
State Structure ◽  
Solid State Structure ◽  
Orthophosphate Crystal

AbstractA calcium nickel orthophosphate complex has been isolated and shown to display a solid state structure similar to that of

N,N,N′-Triacetyl-2,6-diamino-4-tert-butylanisole

2006 ◽  
Vol 62 (4) ◽  
pp. o1300-o1301
Author(s):  
Matthew I. J. Polson ◽  
Peter J. Steel
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Benzene Ring ◽  
Title Compound ◽  
State Structure ◽  
Solid State Structure ◽  
Compound C ◽  
Hydrogen Bonded

The solid state structure of the title compound, C17H24N2O4, reveals the imide unit to be planar and perpendicular to the plane of the benzene ring. In the crystal structure, adjacent molecules are hydrogen bonded through the amide unit.

Solid state structure of NH-pyrazoles not easily amenable to crystal structure determinations: The case of 3(5)-phenyl-5(3)-methylpyrazole and 3,5-diphenyl-4-methylpyrazole

1995 ◽  
Vol 32 (2) ◽  
pp. 451-456 ◽  
Author(s):  
JosÉ Elguero ◽  
Nadine Jagerovic ◽  
ConcepciÓN Foces-Foces ◽  
Félix H. Cano ◽  
MarÍA Victoria Roux ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
State Structure ◽  
Solid State Structure ◽  
Structure Determinations

scholarly journals Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex

2021 ◽  
Vol 77 (7) ◽  
Author(s):  
Hannah R. Bloomfield ◽  
Joshua W. Hollett ◽  
Jamie S. Ritch
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Computational Analysis ◽  
Computational Study ◽  
Spin States ◽  
State Structure ◽  
Solid State Structure ◽  
Positional Disorder ◽  
Hartree Fock ◽  
Complex Features

The solid-state structure of the new compound μ-oxido-bis[dichloridotris(tetrahydrofuran-κO)titanium(III)], [Ti2Cl4O(C4H8O)6], at 150 K has been determined. The crystal has monoclinic (C2/c) symmetry and the complex features C 2 symmetry about the bridging O atom. Positional disorder is evident in one of the three tetrahydrofuran environments. A post-Hartree–Fock computational analysis indicates that the complex has nearly degenerate triplet and singlet spin states, with the former favoured slightly by ca 2 kJ mol−1.

scholarly journals Crystal structure of 2-cyano-1-methylpyridinium perchlorate

2015 ◽  
Vol 71 (11) ◽  
pp. o852-o853
Author(s):  
Vu D. Nguyen ◽  
Cameron A. McCormick ◽  
Joel T. Mague ◽  
Lynn V. Koplitz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
State Structure ◽  
Solid State Structure ◽  
Pyridinium Perchlorate

The asymmetric unit of the title salt, C7H7N2+·ClO4−, comprises two independent formula units. The solid-state structure comprises corrugated layers of cations and of anions, approximately parallel to (010). The supramolecular layers are stabilized and connected by C—H...O hydrogen bonding to consolidate a three-dimensional architecture. A close pyridinium–perchlorate N...O contact [2.867 (5) Å] is noted. The crystal was refined as an inversion twin.

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