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. 2015 Jan 1;71(Pt 1):8–11. doi: 10.1107/S2056989014026048
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.151 H-atom parameters constrained
S = 0.93 w = 1/[σ2(Fo2) + (0.0996P)2 + 1.0739P] where P = (Fo2 + 2Fc2)/3
6526 reflections (Δ/σ)max = 0.023
475 parameters Δρmax = 0.25 e Å3
0 restraints Δρmin = −0.25 e Å3