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. 2018 Oct 26;74(Pt 11):1658–1664. doi: 10.1107/S2056989018014895
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.035 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.083 w = 1/[σ2(Fo2) + (0.0426P)2 + 1.0094P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.001
7124 reflections Δρmax = 0.65 e Å3
394 parameters Δρmin = −0.36 e Å3
2 restraints