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. 2024 Jun 18;80(Pt 7):729–737. doi: 10.1107/S2056989024005437
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)] = 0.023 Hydrogen site location: mixed
wR(F2) = 0.048 H atoms treated by a mixture of independent and constrained refinement
S = 1.07 w = 1/[σ2(Fo2) + (0.0232P)2 + 0.2423P] where P = (Fo2 + 2Fc2)/3
4361 reflections (Δ/σ)max = 0.001
158 parameters Δρmax = 1.15 e Å3
0 restraints Δρmin = −1.49 e Å3