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. 2010 Jun 22;2010:613140. doi: 10.1155/2010/613140

Table 1.

Crystal data and structure refinement for 4.

[Yb(NO3)2L](NO3)·2MeOH
Empirical formula C20H30N7O13Yb
Formula weight 749.55
Temperature 93(2) K
Wavelength 0.71069 Å
Crystal system, Space group Orthorhombic, P212121
Unit cell dimensions a = 10.668(5) Å
b = 13.475(5) Å
c = 19.332(5) Å
Volume 2779.0(18) Å3
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 [I > 2σ(I)] R 1 = 0.0193, wR 2 = 0.0434
R indices (all data) R 1 = 0.0198, wR 2 = 0.0437
Absolute structure parameter 0.599(6)
Largest diff. peak and hole 1.778 and −0.743 eÅ−3