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. 2018 Nov 9;74(Pt 12):1727–1730. doi: 10.1107/S205698901801561X
Refinement on F2 Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036 Hydrogen site location: mixed
wR(F2) = 0.100 H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.0633P)2 + 0.4572P] where P = (Fo2 + 2Fc2)/3
2181 reflections (Δ/σ)max < 0.001
130 parameters Δρmax = 0.44 e Å3
0 restraints Δρmin = −0.40 e Å3
Primary atom site location: structure-invariant direct methods