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. 2022 Jun 10;78(Pt 7):703–708. doi: 10.1107/S2056989022005710
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.051 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.114 w = 1/[σ2(Fo2) + (0.0241P)2 + 1.7289P] where P = (Fo2 + 2Fc2)/3
S = 1.13 (Δ/σ)max < 0.001
4112 reflections Δρmax = 0.37 e Å3
250 parameters Δρmin = −0.21 e Å3
0 restraints