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. 2017 Sep 12;73(Pt 10):1434–1438. doi: 10.1107/S2056989017012038
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.031 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.080 w = 1/[σ2(Fo2) + 0.444P] where P = (Fo2 + 2Fc2)/3
S = 1.14 (Δ/σ)max = 0.001
2004 reflections Δρmax = 0.40 e Å3
108 parameters Δρmin = −0.44 e Å3
2 restraints