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. 2020 Apr 17;76(Pt 5):668–672. doi: 10.1107/S2056989020005071
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043 H-atom parameters constrained
wR(F2) = 0.111 w = 1/[σ2(Fo2) + (0.0409P)2 + 0.5306P] where P = (Fo2 + 2Fc2)/3
S = 1.08 (Δ/σ)max < 0.001
3533 reflections Δρmax = 0.14 e Å3
229 parameters Δρmin = −0.22 e Å3
0 restraints