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. 2022 Apr 28;78(Pt 5):530–535. doi: 10.1107/S2056989022004388
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)] = 0.034 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.096 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0647P)2 + 0.5442P] where P = (Fo2 + 2Fc2)/3
4177 reflections (Δ/σ)max < 0.001
199 parameters Δρmax = 2.00 e Å3
0 restraints Δρmin = −1.04 e Å3