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. 2025 Jun 12;81(Pt 7):600–612. doi: 10.1107/S2056989025004918
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)] = 0.041 Hydrogen site location: mixed
wR(F2) = 0.084 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0268P)2 + 13.6626P] where P = (Fo2 + 2Fc2)/3
29180 reflections (Δ/σ)max = 0.002
967 parameters Δρmax = 2.67 e Å3
64 restraints Δρmin = −1.82 e Å3