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. 2021 Oct 29;77(Pt 11):1170–1174. doi: 10.1107/S2056989021010690
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.027 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.072 w = 1/[σ2(Fo2) + (0.0296P)2 + 0.6561P] where P = (Fo2 + 2Fc2)/3
S = 1.08 (Δ/σ)max = 0.001
4052 reflections Δρmax = 0.32 e Å3
276 parameters Δρmin = −0.50 e Å3