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. 2016 Apr 26;72(Pt 5):734–736. doi: 10.1107/S2056989016006769
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)] = 0.080 H-atom parameters constrained
wR(F2) = 0.147 w = 1/[σ2(Fo2) + (0.0408P)2 + 2.8647P] where P = (Fo2 + 2Fc2)/3
S = 1.00 (Δ/σ)max < 0.001
9958 reflections Δρmax = 0.38 e Å3
575 parameters Δρmin = −0.29 e Å3
0 restraints Absolute structure: Flack (1983), 3246 Friedel pairs
Primary atom site location: structure-invariant direct methods Absolute structure parameter: 0.13 (11)