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. 2024 Jul 31;80(Pt 8):894–909. doi: 10.1107/S2056989024007266
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)] = 0.014 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.032 H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0144P)2 + 1.5857P] where P = (Fo2 + 2Fc2)/3
1563 reflections (Δ/σ)max = 0.002
58 parameters Δρmax = 1.26 e Å3
0 restraints Δρmin = −0.88 e Å3