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. 2017 Jan 1;73(Pt 1):17–19. doi: 10.1107/S2056989016019253
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.039 w = 1/[σ2(Fo2) + (0.0509P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.093 (Δ/σ)max < 0.001
S = 0.99 Δρmax = 0.35 e Å3
6035 reflections Δρmin = −1.03 e Å3
272 parameters Absolute structure: Flack x determined using 2026 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
1 restraint Absolute structure parameter: −0.010 (6)