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. 2022 Apr 22;78(Pt 5):500–505. doi: 10.1107/S2056989022003954
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037 All H-atom parameters refined
wR(F2) = 0.087 w = 1/[σ2(Fo2) + (0.0389P)2] where P = (Fo2 + 2Fc2)/3
S = 0.93 (Δ/σ)max = 0.001
4392 reflections Δρmax = 0.79 e Å3
333 parameters Δρmin = −0.52 e Å3
0 restraints