Skip to main content
. 2014 Nov 21;70(Pt 12):562–565. doi: 10.1107/S1600536814024465
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)] = 0.057 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.166 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0806P)2 + 0.2575P] where P = (Fo2 + 2Fc2)/3
8122 reflections (Δ/σ)max < 0.001
353 parameters Δρmax = 0.42 e Å3
0 restraints Δρmin = −0.25 e Å3