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. 2019 Sep 20;75(Pt 10):1494–1506. doi: 10.1107/S2056989019012702
Refinement on F2 Primary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.041 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.101 w = 1/[σ2(Fo2) + (0.0429P)2 + 0.4265P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
2827 reflections Δρmax = 0.15 e Å3
221 parameters Δρmin = −0.14 e Å3
11 restraints Absolute structure: Flack x determined using 769 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)