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A new co-crystal dinuclear/trinuclear ZnII–ZnII/ZnII–SmIII–ZnII complex with a salen-type Schiff base ligand

A new co-crystal dinuclear/trinuclear ZnII–ZnII/ZnII–SmIII–ZnII complex with a salen-type Schiff base ligand
A new co-crystal dinuclear/trinuclear ZnII–ZnII/ZnII–SmIII–ZnII complex with a salen-type Schiff base ligand
In the penta­nuclear title complex, [SmZn2(C22H18N2O4)2(NCS)2(C3H7NO)2][Zn2(C22H18N2O4)(NCS)3]·C3H7NO·0.32H2O, namely bis­{μ2-6,6′-dimeth­oxy-2,2′-[phenyl­ene-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato}-1κ4O,N,N′,O′:2κ3O,O′,O6;2κ3O,O′,O6:3κ4O,N,N′,O′-bis­(di­methyl­formamide-2κO)di­thiocyanato-1κN,3κN-2-samarium(III)-1,3-dizinc(II) {μ2-6,6′-dimeth­oxy-2,2′-[phenyl­ene-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato-1κ4O,N,N′,O′:2κ2O,O′}trithio­cyan­ato-1κN;2κ2N,N-dizinc(II) di­methyl­formamide monosolvate 1.32-hydrate, a dinuclear unit and a trinuclear unit co-exist. One of the ZnII centers in the dinuclear unit as well as the two ZnII centers in the trinuclear unit are located in the inner N2O2 cavity of the ligand and are coordinated to the nitro­gen atom of one thio­cyanate moiety, giving rise to a square-pyramidal geometry. The second ZnII center in the dinuclear unit is coordinated to the two phenolate oxygen atoms of the ligand and to two thio­cyanate groups via the nitro­gen atom in a tetra­hedral geometry. The SmIII ion is eight-coordinated by four phenolate O atoms from the two ligand mol­ecules, two meth­oxy O atoms from the two ligand mol­ecules and two O atoms from the DFM solvent mol­ecule. In the dinuclear unit, the two meth­oxy oxygen atoms remain uncoordinated while in the trinuclear unit, for each ligand one meth­oxy oxygen is coordinated and the other one remains uncoordinated. In the crystal, the trinuclear cationic units and dinuclear anionic units are assembled into infinite layers. These layers are held together via electrostatic inter­actions, forming a three-dimensional structure. In the dinuclear unit, the C and S atoms of one of the thio­cyanate groups are disordered over two sets of sites in a 0.680 (4)(4):0.320 (4) ratio.
crystal structure, zinc, samarium, Schiff base
1600-5368
1862-1866
Sarr, Mamour
7f368061-aaaa-479f-8b52-840ec44cd257
Diop, Mayoro
5a2549f3-2a86-498e-81c7-014d3f7451b4
Thiam, Elhadj Ibrahima
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Gaye, Mohamed
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Barry, Aliou Hamady
f6590836-fdb1-40f3-9b5e-11d10cb9eb76
Orton, James B.
474e4e75-e27e-4d24-b941-c1e2e33a60da
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Sarr, Mamour
7f368061-aaaa-479f-8b52-840ec44cd257
Diop, Mayoro
5a2549f3-2a86-498e-81c7-014d3f7451b4
Thiam, Elhadj Ibrahima
c7b43b81-b160-4d0b-9952-0d258d770444
Gaye, Mohamed
e5a7f444-74c9-43ed-9323-69c883018ed6
Barry, Aliou Hamady
f6590836-fdb1-40f3-9b5e-11d10cb9eb76
Orton, James B.
474e4e75-e27e-4d24-b941-c1e2e33a60da
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8

Sarr, Mamour, Diop, Mayoro, Thiam, Elhadj Ibrahima, Gaye, Mohamed, Barry, Aliou Hamady, Orton, James B. and Coles, Simon J. (2018) A new co-crystal dinuclear/trinuclear ZnII–ZnII/ZnII–SmIII–ZnII complex with a salen-type Schiff base ligand. Acta Crystallographica Section E: Structure Reports Online, 74, 1862-1866. (doi:10.1107/S2056989018016109).

Record type: Article

Abstract

In the penta­nuclear title complex, [SmZn2(C22H18N2O4)2(NCS)2(C3H7NO)2][Zn2(C22H18N2O4)(NCS)3]·C3H7NO·0.32H2O, namely bis­{μ2-6,6′-dimeth­oxy-2,2′-[phenyl­ene-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato}-1κ4O,N,N′,O′:2κ3O,O′,O6;2κ3O,O′,O6:3κ4O,N,N′,O′-bis­(di­methyl­formamide-2κO)di­thiocyanato-1κN,3κN-2-samarium(III)-1,3-dizinc(II) {μ2-6,6′-dimeth­oxy-2,2′-[phenyl­ene-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato-1κ4O,N,N′,O′:2κ2O,O′}trithio­cyan­ato-1κN;2κ2N,N-dizinc(II) di­methyl­formamide monosolvate 1.32-hydrate, a dinuclear unit and a trinuclear unit co-exist. One of the ZnII centers in the dinuclear unit as well as the two ZnII centers in the trinuclear unit are located in the inner N2O2 cavity of the ligand and are coordinated to the nitro­gen atom of one thio­cyanate moiety, giving rise to a square-pyramidal geometry. The second ZnII center in the dinuclear unit is coordinated to the two phenolate oxygen atoms of the ligand and to two thio­cyanate groups via the nitro­gen atom in a tetra­hedral geometry. The SmIII ion is eight-coordinated by four phenolate O atoms from the two ligand mol­ecules, two meth­oxy O atoms from the two ligand mol­ecules and two O atoms from the DFM solvent mol­ecule. In the dinuclear unit, the two meth­oxy oxygen atoms remain uncoordinated while in the trinuclear unit, for each ligand one meth­oxy oxygen is coordinated and the other one remains uncoordinated. In the crystal, the trinuclear cationic units and dinuclear anionic units are assembled into infinite layers. These layers are held together via electrostatic inter­actions, forming a three-dimensional structure. In the dinuclear unit, the C and S atoms of one of the thio­cyanate groups are disordered over two sets of sites in a 0.680 (4)(4):0.320 (4) ratio.

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Accepted/In Press date: 14 November 2018
e-pub ahead of print date: 22 November 2018
Keywords: crystal structure, zinc, samarium, Schiff base

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Local EPrints ID: 426705
URI: http://eprints.soton.ac.uk/id/eprint/426705
ISSN: 1600-5368
PURE UUID: a63ef68a-c9b2-4f6c-ab2d-b6cb64a0547e
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

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Date deposited: 10 Dec 2018 17:31
Last modified: 22 Nov 2021 02:44

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Contributors

Author: Mamour Sarr
Author: Mayoro Diop
Author: Elhadj Ibrahima Thiam
Author: Mohamed Gaye
Author: Aliou Hamady Barry
Author: James B. Orton
Author: Simon J. Coles ORCID iD

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