Advances in Materials Science and Engineering / 2009 / Article / Tab 2

Research Article

Self-Assembly of Cluster-Based Nanoscopic Supramolecules into One-Dimensional Coordination Polymers

Table 2

Crystal data and structure refinement for the complexes.

123

FormulaC86H88Cl12Mn4N16Nb6O16C93H106.50Cl12Mn4N17.50Nb6O18C178H186Cl24Mn8N34Nb12O36
Mr.2804.342960.085782.89
Cryst. SystemMonoclinicTriclinicTriclinic
space groupP2(1)/nP-1P-1
a/Å16.1629(10)13.1923(16)16.9662(17)
b/Å21.2740(13)14.2188(17)17.6917(18)
c/Å16.4062(10)16.3598(19)18.0631(18)
α/deg9097.737(2)74.184(2)
β/deg115.7020(10)100.990(2)74.198(2)
γ/deg90102.532(2)75.567(2)
V (Å3)/Z5083.1(5)/22890.7(6)/14928.9(9)/1
, g/cm31.8321.7002.745
F(000)278814813780
θ range (°)
Reflections collected/unique44244/1163425667/1307927232/12018
R(int)0.05210.03270.0280
Goodness-of-fit on F21.1591.0281.048
,*
I > 2σ (I) , , ,
all data , , ,
Max/mean shift in final cycle0.001/0.0000.001/0.0000.309/0.023

, , , where , , ; 2, , ; 3, , .

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