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. 2018 Mar 16;74(Pt 4):530–534. doi: 10.1107/S2056989018004188
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)] = 0.057 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.202 H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0981P)2] where P = (Fo2 + 2Fc2)/3
3005 reflections (Δ/σ)max < 0.001
217 parameters Δρmax = 0.14 e Å3
0 restraints Δρmin = −0.13 e Å3
72 constraints