Skip to main content
. 2012 Sep 8;68(Pt 10):m1250. doi: 10.1107/S1600536812037877
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044 Hydrogen site location: difference Fourier map
wR(F2) = 0.113 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0548P)2 + 3.8894P] where P = (Fo2 + 2Fc2)/3
2773 reflections (Δ/σ)max < 0.001
181 parameters Δρmax = 0.49 e Å3
0 restraints Δρmin = −0.43 e Å3