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. 2024 Feb 20;80(Pt 3):318–324. doi: 10.1107/S2056989024001543
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.054 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.149 H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.061P)2 + 0.4958P] where P = (Fo2 + 2Fc2)/3
6239 reflections (Δ/σ)max = 0.001
284 parameters Δρmax = 1.01 e Å3
0 restraints Δρmin = −0.43 e Å3