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. 2025 May 20;81(Pt 6):534–537. doi: 10.1107/S2056989025004293
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.024 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066 H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0406P)2 + 0.231P] where P = (Fo2 + 2Fc2)/3
3139 reflections (Δ/σ)max = 0.002
191 parameters Δρmax = 0.29 e Å3
0 restraints Δρmin = −0.30 e Å3