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. 2017 Mar 21;73(Pt 4):539–542. doi: 10.1107/S2056989017003863
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.030 H-atom parameters constrained
wR(F2) = 0.083 w = 1/[σ2(Fo2) + (0.0557P)2 + 0.5337P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.005
1203 reflections Δρmax = 1.01 e Å3
73 parameters Δρmin = −0.35 e Å3