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. 2022 Aug 16;78(Pt 9):905–911. doi: 10.1107/S2056989022008003
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.018 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.044 w = 1/[σ2(Fo2) + (0.0151P)2 + 0.8539P] where P = (Fo2 + 2Fc2)/3
S = 1.10 (Δ/σ)max < 0.001
3165 reflections Δρmax = 0.33 e Å3
194 parameters Δρmin = −0.29 e Å3
0 restraints