Skip to main content
. 2017 Jun 16;73(Pt 7):1041–1043. doi: 10.1107/S2056989017008738
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)] = 0.031 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.079 H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.0354P)2 + 0.355P] where P = (Fo2 + 2Fc2)/3
5040 reflections (Δ/σ)max = 0.008
226 parameters Δρmax = 0.41 e Å3
0 restraints Δρmin = −0.42 e Å3