Skip to main content
. 2018 Jul 10;74(Pt 8):1075–1078. doi: 10.1107/S2056989018009611
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.047 H-atom parameters constrained
wR(F2) = 0.122 w = 1/[σ2(Fo2) + (0.0476P)2 + 0.5222P] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max = 0.004
12901 reflections Δρmax = 0.36 e Å3
492 parameters Δρmin = −0.30 e Å3
3 restraints