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. 2020 Apr 9;5(Pt 4):x200488. doi: 10.1107/S2414314620004885
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.016 All H-atom parameters refined
wR(F2) = 0.030 w = 1/[σ2(Fo2) + (0.0141P)2] where P = (Fo2 + 2Fc2)/3
S = 0.87 (Δ/σ)max < 0.001
1106 reflections Δρmax = 0.44 e Å3
57 parameters Δρmin = −0.23 e Å3
18 restraints Absolute structure: Refined as an inversion twin.
0 constraints Absolute structure parameter: 0.36 (4)
Primary atom site location: dual