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. 2020 Sep 22;76(Pt 10):1665–1668. doi: 10.1107/S2056989020012657
Refinement on F2 0 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0219P)2 + 2.8589P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.053 (Δ/σ)max < 0.001
wR(F2) = 0.105 Δρmax = 1.70 e Å3
S = 1.11 Δρmin = −1.74 e Å3
321 reflections Absolute structure: Flack x determined using 78 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
32 parameters Absolute structure parameter: 0.4 (2)