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. 2022 Feb 3;78(Pt 3):275–281. doi: 10.1107/S2056989022000962
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.069 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0201P)2 + 2.3843P] where P = (Fo2 + 2Fc2)/3
2976 reflections (Δ/σ)max = 0.001
154 parameters Δρmax = 0.93 e Å3
0 restraints Δρmin = −0.90 e Å3