Nickel(ii)trifluoroacetate Tetrahydrate

• CAT Number: M101949
• CAS Number: 151013-23-9
• Molecular Formula: C14H17N3O.C4H6O4
• Molecular Weight: 358.8
• Purity: ≥95%
• Storage: Desiccate at RT
• IUPAC Name: nickel;2,2,2-trifluoroacetic acid;tetrahydrate
• InChI: InChI=1S/2C2HF3O2.Ni.4H2O/c2*3-2(4,5)1(6)7;;;;;/h2*(H,6,7);;4*1H2
• InChIKey: WFQHGZMSPHTVFB-UHFFFAOYSA-N
• SMILES: C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.O.O.O.O.[Ni]

Nickel trifluoroacetate tetrahydrate(CAS: 151013-23-9) exists, as well as two emerald green acid trifluoroacetates, a bridged trinuclear form [Ni3(CF3COO)6(CF3COOH)6](CF3COOH) and a hydrated acid form [Ni3(CF3COO)6(CF3COOH)2(H2O)4](CF3COOH)2 both with triclinic crystal form. The first has density 2.205 and the second 2.124. They are made by dissolving the nickel trifluoroacetate tetrahydrate in trifluoroacetic acid either anhydrous or 1% hydrated.

Reference

[1]. Tokareva, A.O., Tereshchenko, D.S., Boltalin, A.I. et al.
Acid Co(II) and Ni(II) trifluoroacetate complexes: Synthesis and crystal structure.
Anhydrous and partially hydrated acid trinuclear trifluoroacetates of divalent transition metals of the composition [M3(CF3COO)6(CF3COOH)6)](CF3COOH) and [M3(CF3COO)6(CF3COOH)2(H2O)4)](CF3COOH)2, respectively, where M = Co (I, III) Ni (II, IV), were synthesized and studied by X-ray diffraction. Complexes I and II were obtained by crystallization from solutions of M(CF3COO)2 · 4H2O in trifluoroacetic anhydride; complexes III and IV were synthesized under the same conditions with the use of 99% trifluoroacetic acid as a solvent. Crystals I are triclinic: space group P1¯, a = 13.199(6) Å, b = 14.649(6) Å, c = 15.818(6) Å, α = 90.04(4)°, β = 114.32(4)°, γ = 108.55(4)°, V = 2611.3(19) Å3, Z = 2, R = 0.0480. Crystals II are trigonal: space group R3¯, a = 13.307(2) Å, c = 53.13(1) Å, V = 8148(2) Å3, Z = 6, R = 0.1112. Crystals III are triclinic: space group P1¯, a = 9.001(8) Å, b = 10.379(9) Å, c = 12.119(9) Å, α = 83.67(5)°, β = 72.33(5)°, γ = 83.44(5)°, V = 1068.3(15) Å3, Z = 1 Å, R = 0.1031. Crystals IV are triclinic: space group P1¯, a = 9.121(18) Å, b = 10.379(2) Å, c = 12.109(2) Å, α = 84.59(3)°, β = 72.20(3)°, γ = 82.80(3)°, V = 1080.94(40) Å3, Z = 1, R = 0.0334.
Russ J Coord Chem 32, 663–668 (2006). https://doi.org/10.1134/S1070328406090077