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. 2008 Jun 7;64(Pt 7):m874–m875. doi: 10.1107/S1600536808016309
Refinement on F2 Hydrogen site location: mixed
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.023   w = 1/[σ2(Fo2) + (0.03P)2 + 0.5P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.059 (Δ/σ)max = 0.001
S = 1.01 Δρmax = 0.34 e Å3
6379 reflections Δρmin = −0.33 e Å3
310 parameters Extinction correction: none
1 restraint Absolute structure: Flack (1983), with how many Friedel pairs?
Primary atom site location: structure-invariant direct methods Flack parameter: 0.004 (7)
Secondary atom site location: difference Fourier map