Use of the 2-Pyridinealdoxime/N,N′-Donor Ligand Combination in Cobalt(III) Chemistry: Synthesis and Characterization of Two Cationic Mononuclear Cobalt(III) Complexes

Table 1

Crystallographic data for complexes 1 ⋅2H₂O and 2 ⋅1.5MeOH.

Parameter	1 ⋅2H2O	2 ⋅1.5MeOH
Color (habit)	Red/orange prisms	Red prisms
Crystal size (mm)	0.33 × 0.08 × 0.05	0.50 × 0.35 × 0.30
Chemical formula	C24H22CoN6O4Cl	C23.5H19CoN6O3.5Cl
M	552.86	535.83
Crystal system	Tetragonal	Orthorhombic
Space group	I41/acd	Ic2m
Unit cell dimensions
a (Å)	17.098(5)	13.134(6)
b (Å)	17.098(5)	8.900(4)
c (Å)	31.903(9)	21.293(8)
V (Å^3)	9327(5)	2489(2)
Z	16	4
𝐷calc (g cm^-3)	1.575	1.430
𝜇 (mm^-1)	0.896	0.836
Radiation (Å)	Mo𝐾𝛼 (0.71073)	Mo𝐾𝛼 (0.71073)
Temperature (K)	298	298
Scan mode/speed (∘min^-1)	𝜃-2𝜃/2.6	𝜃-2𝜃/3.5
Scan range (°)	2.1 + 𝛼1𝛼2 separation	2.3 + 𝛼1𝛼2 separation
𝜃 range (°)	2.1–23.0	1.8–25.0
Reflections collected	3157	3561
Unique reflections	1627 (𝑅int=  0.0276)	2253 (𝑅int=  0.0240)
Reflections used [𝐼>2𝜎(𝐼)]	1237	1882
Parameters refined	164	204
[Δ/𝜎]max	0.000	0.014
[Δ𝜌]max/[Δ𝜌]min (e Å^-3)	0.712/−0.444	0.695/−0.244
GoF (on 𝐹^2)	1.101	1.079
𝑅^(a)1 [I > 2𝜎(I)]	0.0543	0.0424
𝑤𝑅^(b)2 [I > 2𝜎(I)]	0.1453	0.1097

^(a)𝑅₁= Σ(|0𝑥0200𝑐𝐹_𝑜|0𝑥0200𝑐−|0𝑥0200𝑐𝐹_c|0𝑥0200𝑐)/Σ(|0𝑥0200𝑐𝐹_𝑜|0𝑥0200𝑐); ^(b)𝑤𝑅₂= {Σ[𝑤(𝐹²_𝑜−𝐹²_c)²]/Σ[𝑤(𝐹²_𝑜)2]}^1/2, 𝑤=1/[𝜎²(𝐹²_𝑜)+(𝑎𝑃)²+𝑏𝑃] where P = (max(𝐹²_𝑜,0)+2𝐹²_c)/3.