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. 2021 Jun 30;77(Pt 7):759–764. doi: 10.1107/S2056989021006563
Refinement on F2 6 restraints
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.034 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.102 w = 1/[σ2(Fo2) + (0.0586P)2 + 2.1077P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
2944 reflections Δρmax = 0.29 e Å3
241 parameters Δρmin = −0.21 e Å3