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. 2020 May 5;76(Pt 6):798–802. doi: 10.1107/S2056989020005939
Refinement on F2 Primary atom site location: other
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046 Hydrogen site location: mixed
wR(F2) = 0.120 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0558P)2 + 0.390P] where P = (Fo2 + 2Fc2)/3
6395 reflections (Δ/σ)max = 0.001
379 parameters Δρmax = 0.19 e Å3
0 restraints Δρmin = −0.21 e Å3