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. 2020 Apr 9;76(Pt 5):646–650. doi: 10.1107/S2056989020004648
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.049 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.121 w = 1/[σ2(Fo2) + (0.0455P)2 + 0.7464P] where P = (Fo2 + 2Fc2)/3
S = 1.07 (Δ/σ)max = 0.001
4862 reflections Δρmax = 0.42 e Å3
202 parameters Δρmin = −0.26 e Å3
0 restraints