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. 2020 Oct 30;76(Pt 11):1779–1793. doi: 10.1107/S2056989020014097
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.032 w = 1/[σ2(Fo2) + (0.0306P)2 + 0.7308P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.071 (Δ/σ)max < 0.001
S = 1.05 Δρmax = 0.46 e Å3
3735 reflections Δρmin = −0.65 e Å3
237 parameters Absolute structure: Flack x determined using 1045 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
17 restraints Absolute structure parameter: 0.004 (10)
Primary atom site location: difference Fourier map