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. 2022 Jun 16;78(Pt 7):732–736. doi: 10.1107/S205698902200620X
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.033 H-atom parameters constrained
wR(F2) = 0.085 w = 1/[σ2(Fo2) + (0.0438P)2 + 0.8309P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.002
7370 reflections Δρmax = 1.41 e Å3
199 parameters Δρmin = −0.97 e Å3
1 restraint Absolute structure: Flack parameter determined using 2437 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013).
Primary atom site location: structure-invariant direct methods Absolute structure parameter: 0.003 (5)