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. 2020 Oct 6;76(Pt 11):1701–1707. doi: 10.1107/S2056989020013134
Refinement on F2 Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034 Hydrogen site location: mixed
wR(F2) = 0.096 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0572P)2 + 0.329P] where P = (Fo2 + 2Fc2)/3
4487 reflections (Δ/σ)max = 0.001
225 parameters Δρmax = 0.43 e Å3
2 restraints Δρmin = −0.22 e Å3
Primary atom site location: structure-invariant direct methods