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. 2016 Apr 8;72(Pt 5):652–655. doi: 10.1107/S2056989016005600
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042 H-atom parameters constrained
wR(F2) = 0.109 w = 1/[σ2(Fo2) + (0.0327P)2 + 4.5187P] where P = (Fo2 + 2Fc2)/3
S = 1.10 (Δ/σ)max < 0.001
7112 reflections Δρmax = 0.33 e Å3
514 parameters Δρmin = −0.34 e Å3
0 restraints Absolute structure: Refined as an inversion twin
Primary atom site location: structure-invariant direct methods Absolute structure parameter: 0.50 (3)