TY - JOUR
T1 - Structural investigations of the dipyrromethene complexes of calcium(II), nickel(II) and copper(II)
AU - Clarke, Eric T.
AU - Squattrito, Philip J.
AU - Rudolf, Philip R.
AU - Motekaitis, Ramunas Z.
AU - Martell, Arthur E.
AU - Clearfield, Abraham
N1 - Funding Information:
Appreciation and thanks are extended to Dr Keith Prout, University of Oxford, who assisted in the use of the Cambridge data base file for the dipyrro-methene crystal structures. The authors acknowledge The Robert A. Welch Foundation for support of this project under A-259 (E.T.C., R.J.M., A.E.M.) and A-673 (P.R.R., P.J.S., A.C.) and DOD equipment grant NOOO14-86-G-0194 (for the single crystal diffractometer).
PY - 1989/12/15
Y1 - 1989/12/15
N2 - Structures of complexes formed between calcium(II), nickel(II) and copper(II) and the ligand, 3,3′,4,4′-tetrachloro-5,5′-dicarbethoxy-2,2′-dipyrromethene have been determined. The Ni(II) and Cu(II) ions are six-coordinate, with a distorted octahedral configuration consisting of the four pyrrole nitrogen atoms and two oxygen atoms of the ligand. The Ca(II) ion is eight-coordinate with a distorted dodecahedral geometry involving four pyrrole nitrogen atoms and the four carbonyl oxygen atoms of the carbethoxy groups. For each metal complex, oxygen coordination results in distortion away from the tetrahedral conformation of the ligand nitrogen donors. The Ca(II) chelate is monoclinic, space group P21/n, Z = 4, a = 11.381(2), b = 24.916(4), c = 13.410(2) Å, β = 94.31(1)°, V = 3792(1) Å3. The Ni(II) and Cu(II) complexes are isostructural, triclinic, space group P1, Z = 2. For the Ni(II) chelate, a = 12.574(4), b = 14.608(3), c = 10.634(2) Å, α = 96.42(2), β = 100.05(2), γ = 108.89(2)°, V = 1789.6(8) Å3. For the Cu(II) chelate, a = 12.522(5), b = 14.493(6), c = 10.704(6) Å, α = 96.50(5), β = 100.86(2), γ = 108.44(1)°, V = 1778.41(6) Å3. The structures were solved by direct methods and refined by least-squares techniques to R = 0.043 (2531 independent reflections) for the Ca(II) chelate; R = 0.044 (3149 independent reflections) for the Ni(II) chelate; and R = 0.067 (2468 independent reflections) for the Cu(II) chelate.
AB - Structures of complexes formed between calcium(II), nickel(II) and copper(II) and the ligand, 3,3′,4,4′-tetrachloro-5,5′-dicarbethoxy-2,2′-dipyrromethene have been determined. The Ni(II) and Cu(II) ions are six-coordinate, with a distorted octahedral configuration consisting of the four pyrrole nitrogen atoms and two oxygen atoms of the ligand. The Ca(II) ion is eight-coordinate with a distorted dodecahedral geometry involving four pyrrole nitrogen atoms and the four carbonyl oxygen atoms of the carbethoxy groups. For each metal complex, oxygen coordination results in distortion away from the tetrahedral conformation of the ligand nitrogen donors. The Ca(II) chelate is monoclinic, space group P21/n, Z = 4, a = 11.381(2), b = 24.916(4), c = 13.410(2) Å, β = 94.31(1)°, V = 3792(1) Å3. The Ni(II) and Cu(II) complexes are isostructural, triclinic, space group P1, Z = 2. For the Ni(II) chelate, a = 12.574(4), b = 14.608(3), c = 10.634(2) Å, α = 96.42(2), β = 100.05(2), γ = 108.89(2)°, V = 1789.6(8) Å3. For the Cu(II) chelate, a = 12.522(5), b = 14.493(6), c = 10.704(6) Å, α = 96.50(5), β = 100.86(2), γ = 108.44(1)°, V = 1778.41(6) Å3. The structures were solved by direct methods and refined by least-squares techniques to R = 0.043 (2531 independent reflections) for the Ca(II) chelate; R = 0.044 (3149 independent reflections) for the Ni(II) chelate; and R = 0.067 (2468 independent reflections) for the Cu(II) chelate.
UR - http://www.scopus.com/inward/record.url?scp=0001339650&partnerID=8YFLogxK
U2 - 10.1016/S0020-1693(00)80814-2
DO - 10.1016/S0020-1693(00)80814-2
M3 - Article
AN - SCOPUS:0001339650
SN - 0020-1693
VL - 166
SP - 221
EP - 231
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
IS - 2
ER -