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. 2022 Jun 10;78(Pt 7):695–698. doi: 10.1107/S2056989022005928
Refinement on F2 Primary atom site location: difference Fourier map
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.033 Hydrogen site location: mixed
wR(F2) = 0.096 H atoms treated by a mixture of independent and constrained refinement
S = 1.07 w = 1/[σ2(Fo2) + (0.055P)2 + 1.11P] where P = (Fo2 + 2Fc2)/3
4096 reflections (Δ/σ)max = 0.001
225 parameters Δρmax = 0.58 e Å3
0 restraints Δρmin = −0.60 e Å3