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. 2022 Feb 10;78(Pt 3):317–321. doi: 10.1107/S2056989022001475
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)] = 0.111 Hydrogen site location: mixed
wR(F2) = 0.277 H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.1511P)2 + 16.9004P] where P = (Fo2 + 2Fc2)/3
8591 reflections (Δ/σ)max = 0.001
537 parameters Δρmax = 4.24 e Å3
78 restraints Δρmin = −0.65 e Å3