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. 2020 May 29;76(Pt 6):973–976. doi: 10.1107/S2056989020006945
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.059 w = 1/[σ2(Fo2) + (0.0927P)2 + 0.2455P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.183 (Δ/σ)max < 0.001
S = 1.02 Δρmax = 0.68 e Å3
4609 reflections Δρmin = −0.84 e Å3
218 parameters Extinction correction: SHELXL2018/3 (Sheldrick 2015b)
0 restraints Extinction coefficient: 0.0181 (17)