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. 2018 Feb 28;74(Pt 3):400–405. doi: 10.1107/S2056989018002955
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.050 w = 1/[σ2(Fo2) + (0.0405P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.093 (Δ/σ)max = 0.001
S = 1.01 Δρmax = 0.24 e Å3
10764 reflections Δρmin = −0.18 e Å3
792 parameters Absolute structure: Flack x determined using 2632 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013).
1 restraint Absolute structure parameter: −0.3 (4)
Primary atom site location: dual