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. 2022 Jun 7;78(Pt 7):691–694. doi: 10.1107/S2056989022005382
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.051 H-atom parameters constrained
wR(F2) = 0.142 w = 1/[σ2(Fo2) + (0.0811P)2 + 0.6375P] where P = (Fo2 + 2Fc2)/3
S = 1.09 (Δ/σ)max < 0.001
1834 reflections Δρmax = 0.28 e Å3
115 parameters Δρmin = −0.23 e Å3