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. 2016 Aug 16;72(Pt 9):1310–1314. doi: 10.1107/S2056989016012937
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)] = 0.059 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.182 H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.0831P)2 + 5.3659P] where P = (Fo2 + 2Fc2)/3
3171 reflections (Δ/σ)max < 0.001
244 parameters Δρmax = 1.06 e Å3
0 restraints Δρmin = −0.40 e Å3