Skip to main content
. 2022 Apr 7;7(Pt 4):x220364. doi: 10.1107/S2414314622003649
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: mixed
wR(F2) = 0.109 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0473P)2 + 0.2757P] where P = (Fo2 + 2Fc2)/3
3651 reflections (Δ/σ)max < 0.001
269 parameters Δρmax = 0.18 e Å3
8 restraints Δρmin = −0.15 e Å3