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. 2022 Jun 10;78(Pt 7):709–715. doi: 10.1107/S2056989022006004
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.070 Hydrogen site location: mixed
wR(F2) = 0.235 H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.1128P)2 + 0.3819P] where P = (Fo2 + 2Fc2)/3
4927 reflections (Δ/σ)max < 0.001
375 parameters Δρmax = 0.42 e Å3
4 restraints Δρmin = −0.28 e Å3
0 constraints