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. 2015 Sep 12;71(Pt 10):o723–o724. doi: 10.1107/S2056989015016631
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)] = 0.064 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.231 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.109P)2 + 3.4059P] where P = (Fo2 + 2Fc2)/3
4852 reflections (Δ/σ)max < 0.001
264 parameters Δρmax = 0.28 e Å3
0 restraints Δρmin = −0.37 e Å3