Synthesis and Characterization of a Linear [Mn₃(O₂CMe)₄(py)₈]²⁺ Complex

Table 1

Crystallographic data for complexes 1 and 2.

	1	2
Formula(a)	C48H52Mn3N8O8I6	C48H52Mn3N8O16Cl2
𝑀𝑤	1795.20	1232.70
Crystal System	Monoclinic	Monoclinic
Space group	P21/n	P21/n
𝑎/Å	15.2694(7)	21.7552(5)
𝑏/Å	13.8883(4)	11.0081(2)
𝑐/Å	15.2919(6)	23.4535(4)
𝛽/∘	109.041(5)	107.917(2)
𝑉/Å^3	3065.5(2)	5344.3(2)
𝑍	2	4
T/K	100(2)	100(2)
𝜆^(b), Å	0.71073	0.71073
𝐷𝑐, g/cm^-3	1.945	1.532
𝜇 (Mo Ka)/mm^-1	3.682	0.874
Refl. collected/unique (𝑅int)	23443/7336 (0.0455)	34188/9376 (0.0733)
Obs. refl. [𝐼>2𝜎(𝐼)].	5655	4469
𝑅1 %(c)	0.0285	0.0382
𝑤𝑅2^(d)	0.0640	0.0636
Goodness of fit on 𝐹^2	0.952	0.736
Largest diff. peak/hole/e^-/Å^-3	1.172/−1.043	0.366/−0.298

^(a)Including counteranions. ^(b)Graphite monochromator. ^(c)𝑅1=Σ‖𝐹o|−|𝐹𝑐‖/Σ|𝐹o|. ^(d)𝑤𝑅2=[Σ[𝑤(𝐹_𝑜²−𝐹_𝑐²)²]/Σ[𝑤𝐹_𝑜²)²]]^1/2, 𝑤=1/[𝜎²(𝐹_𝑜²)+(𝑚⋅𝑝)²+𝑛⋅𝑝], 𝑝=[max(𝐹_𝑜²,0)+2𝐹_𝑐²]/3, and 𝑚 and 𝑛 are constants.