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. 2020 Jul 17;76(Pt 8):1311–1315. doi: 10.1107/S2056989020009512
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.045 H-atom parameters constrained
wR(F2) = 0.116 w = 1/[σ2(Fo2) + (0.0673P)2 + 0.5724P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
3353 reflections Δρmax = 0.22 e Å3
253 parameters Δρmin = −0.40 e Å3
0 restraints