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The same calculation as above shows that 18 mononegative bidentate ligands are required to balance the 30 positive charges of the metal atoms and the 36 remaining coordination sites of the Ln2Ti6O6 core (again assuming six-coordinate Ti atoms and eight-coordinate Ln atoms).
This spin density crucially depends on the remaining coordination sites and on the ligand folding at the central Cu phenolate bond.
The remaining coordination site on the third Mn ion (and symmetry equivalent) is occupied by one H2O (1 and 2) or EtOH (2) molecule.
This, combined with the symmetry observed for the bpy ligand, mandates a co-planar arrangement of these two ligands with presumably two mutually trans solvent molecules occupying the remaining coordination sites.
The active site contains two nickel (II) atoms which, as shown by X-ray analysis, are linked by a carbamate bridge, furthermore, two imidazole nitrogen atoms are bound to each nickel atom, and a carboxylate group and a water molecule fill the remaining coordination site of the metal ion [ 4].
Immobilised metal affinity chromatography (IMAC) uses a matrix which has a metal-chelating group available for metal binding, and the remaining coordination sites on the metal bind His residues attached to the recombinant protein, thus enabling its purification via elution with a metal chelator such as imidazole.
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The remaining two coordination sites display extensive disorder.
The remaining three coordination sites are occupied by the bidentate αKG and a water molecule.
However, for the remaining components – coordination, comprehensiveness, and continuity – the patients supported having these functions of primary care strengthened, but did not necessarily believe that these functions were an essential part of primary care.
The Mg(H2O 6 2+ octahedron is slightly elongated along the Mg—O w6 vector compared with the other five Mg—O distances (Table 1 ▶), which is due to the tetrahedral coordination of O w6 compared with the trigonal coordination of the remaining Mg-coordinated water molecules.
The optimal architecture of L1 allows it to impose the less usual pentagonal bipyramidal geometry on the Mn II) guest, and the X-ray crystal structure of [Mn(L1)](ClO4 2 shows that the Mn II) ion is deeply buried in the receptor cavity, coordinated to the seven available donor atoms, with the perchlorate anions remaining outside the metal coordination sphere.
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