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. 2024 Mar 21;80(Pt 4):383–387. doi: 10.1107/S2056989024002585
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.044 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.139 H-atom parameters constrained
S = 1.17 w = 1/[σ2(Fo2) + (0.0919P)2] where P = (Fo2 + 2Fc2)/3
3456 reflections (Δ/σ)max < 0.001
181 parameters Δρmax = 0.42 e Å3
0 restraints Δρmin = −0.24 e Å3