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. 2016 Feb 17;72(Pt 3):350–354. doi: 10.1107/S2056989016002516
Refinement on F2 Secondary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.052 H-atom parameters constrained
wR(F2) = 0.117 w = 1/[σ2(Fo2) + (0.0483P)2] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max < 0.001
2743 reflections Δρmax = 0.13 e Å3
124 parameters Δρmin = −0.17 e Å3
0 restraints Absolute structure: Flack x determined using 465 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
Primary atom site location: structure-invariant direct methods Absolute structure parameter: 0.10 (6)