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. 2019 Apr 5;75(Pt 5):571–575. doi: 10.1107/S2056989019004444
Refinement on F2 Hydrogen site location: mixed
Least-squares matrix: full H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.033 w = 1/[σ2(Fo2) + (0.0497P)2 + 0.3888P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.094 (Δ/σ)max = 0.001
S = 1.06 Δρmax = 0.17 e Å3
3359 reflections Δρmin = −0.15 e Å3
150 parameters Absolute structure: Flack parameter determined using 1222 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
1 restraint Absolute structure parameter: 0.04 (3)