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. 2018 Nov 30;74(Pt 12):1919–1922. doi: 10.1107/S2056989018016754
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.086 H-atom parameters constrained
wR(F2) = 0.282 w = 1/[σ2(Fo2) + (0.0956P)2] where P = (Fo2 + 2Fc2)/3
S = 0.95 (Δ/σ)max < 0.001
3593 reflections Δρmax = 0.49 e Å3
228 parameters Δρmin = −0.32 e Å3