Skip to main content
. 2011 Nov 25;67(Pt 12):o3414. doi: 10.1107/S1600536811049208
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)] = 0.042 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.132 H-atom parameters constrained
S = 1.12 w = 1/[σ2(Fo2) + (0.0835P)2 + 0.6035P] where P = (Fo2 + 2Fc2)/3
2548 reflections (Δ/σ)max < 0.001
163 parameters Δρmax = 0.43 e Å3
0 restraints Δρmin = −0.32 e Å3