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. 2020 Apr 24;76(Pt 5):728–731. doi: 10.1107/S2056989020005393
Refinement on F2 41 constraints
Least-squares matrix: full Primary atom site location: iterative
R[F2 > 2σ(F2)] = 0.057 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.184 w = 1/[σ2(Fo2) + (0.0846P)2 + 0.3653P] where P = (Fo2 + 2Fc2)/3
S = 1.12 (Δ/σ)max < 0.001
3668 reflections Δρmax = 0.47 e Å3
278 parameters Δρmin = −0.37 e Å3
0 restraints