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. 2016 Sep 5;72(Pt 10):1380–1382. doi: 10.1107/S2056989016013864
Refinement on F2 H atoms treated by a mixture of independent and constrained refinement
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0617P)2 + 0.0101P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.060 (Δ/σ)max < 0.001
wR(F2) = 0.130 Δρmax = 0.17 e Å3
S = 1.02 Δρmin = −0.23 e Å3
9449 reflections Absolute structure: Flack (1983), 4144 Friedel pairs
413 parameters Absolute structure parameter: 0.4 (15)
0 restraints