Bioinorganic Chemistry and Applications / 2010 / Article / Tab 1 / Research Article
Interactions of Trivalent Lanthanide Cations with a New Hexadentate Di-Schiff Base: New Lanthanide(III) Complexes from (NE,N′E)-2,2′-(ethane-1,2-diylbis(oxy))bis(N-(pyridin-2-ylmethylene)ethanamine) Table 1 Crystal data and structure refinement for 4.
[Yb(NO3 )2 L](NO3 )
2MeOH Empirical formula C20 H30 N7 O13 Yb Formula weight 749.55 Temperature 93(2) K Wavelength 0.71069
Crystal system, Space group Orthorhombic, P21 21 21 Unit cell dimensions a = 10.668(5)
b = 13.475(5)
c = 19.332(5)
Volume 2779.0(18)
Z , Density (calc.)4, 1.792 g/cm3 Absorption coefficient 3.441 mm-1 F (000)1492 Crystal size 0.21
0.1
0.08 mm3 Completeness to theta = 25.00° 99.6% Reflections (collected/independent) 18754/6025 [R (int) = 0.0217] Data/restraints/parameters 6025/0/403 Goodness-of-fit on F 2 1.079 Final R indices [
R 1 = 0.0193, wR 2 = 0.0434
indices (all data)R 1 = 0.0198, wR 2 = 0.0437Absolute structure parameter 0.599(6) Largest diff. peak and hole 1.778 and −0.743 e