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. 2020 Oct 9;76(Pt 11):1741–1747. doi: 10.1107/S2056989020013341
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.068 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.193 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.1214P)2] where P = (Fo2 + 2Fc2)/3
9994 reflections (Δ/σ)max = 0.002
551 parameters Δρmax = 1.75 e Å3
178 restraints Δρmin = −0.93 e Å3