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. 2019 Feb 22;75(Pt 3):378–382. doi: 10.1107/S2056989019002378
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: dual
R[F2 > 2σ(F2)] = 0.030 Hydrogen site location: mixed
wR(F2) = 0.068 H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + (0.0308P)2] where P = (Fo2 + 2Fc2)/3
4588 reflections (Δ/σ)max = 0.001
283 parameters Δρmax = 1.76 e Å3
18 restraints Δρmin = −0.65 e Å3
0 constraints