Skip to main content
. 2022 Jun 30;78(Pt 7):750–754. doi: 10.1107/S2056989022006624
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.067 H-atom parameters constrained
wR(F2) = 0.161 w = 1/[σ2(Fo2) + (0.0527P)2 + 4.2781P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max < 0.001
9657 reflections Δρmax = 0.67 e Å3
629 parameters Δρmin = −0.46 e Å3
1 restraint