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. 2021 Sep 28;77(Pt 10):1048–1053. doi: 10.1107/S2056989021009907
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041 H-atom parameters constrained
wR(F2) = 0.118 w = 1/[σ2(Fo2) + (0.0576P)2 + 0.6103P] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max < 0.001
4991 reflections Δρmax = 0.30 e Å3
280 parameters Δρmin = −0.36 e Å3