Synthesis and Structural Characterization of a Metal Cluster and a Coordination Polymer Based on the [Mn₆(μ₄-O)₂]¹⁰⁺ Unit

Table 1

Crystallographic data for complexes (1 ⋅2.5H₂O)_∞ and (2 ⋅2MeCN).

	1	2
Formula^a	C40H86Mn12O57	C86H71Mn6N5O23
𝑀𝑤	2138.33	1872.13
Crystal System	Orthorhombic	Triclinic
Space group	P b c a	Pī
a/Å	13.615(2)	14.4690(8)
b/Å	21.274(3)	15.8172(7)
c/Å	30.459(4)	18.636(2)
𝛼/^o	90	83.861(4)
𝛽/^o	90	86.750(4)
𝛾/^o	90	83.463(4)
V/Å^3	8822(2)	4208.8(4)
Z	4	2
T/K	100(2)	100(2)
𝜆^b, Å	0.71073	0.71073
𝐷𝑐, g/cm^−3a	1.610	1.477
𝜇(Mo-K𝛼)/mm^−1	1.750	0.950
Reflections collected/unique(𝑅int)	38727/7727(0.1214)	46797/11574(0.0493)
Obs. refl. [I>2𝜎(I)].	3263	8550
𝑅1%^c	0.0474	0.0656
𝑤𝑅2^d	0.0931	0.1608
Goodness of fit on 𝐹^2	0.807	0.974
Δρ max/min/e Å^-3	0.891/−0.409	1.434/−1.333

^aIncludingsolvent molecules and all hydrogen atoms (even the H atoms of H₂O). ^bGraphite monochromator. ^c𝑅1=Σ|𝐹_o|−|𝐹_𝑐|/Σ|𝐹_o|. ^d𝑤𝑅2= [Σ[𝑤(𝐹²_𝑜−𝐹²_𝑐)²]/Σ[𝑤𝐹²_𝑜)²]]^1/2, 𝑤 = 1/[𝜎2(𝐹²_o)+(𝑚⋅𝑝)²+𝑛⋅𝑝], 𝑝=[max(𝐹²_𝑜,0)+2𝐹²_𝑐]/3, and 𝑚 and 𝑛 are constants.