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. 2021 Oct 21;77(Pt 11):1130–1134. doi: 10.1107/S2056989021010616
Refinement on F2 7 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.071 H-atom parameters constrained
wR(F2) = 0.203 w = 1/[σ2(Fo2) + (0.0952P)2 + 6.9557P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.011
12244 reflections Δρmax = 1.08 e Å3
896 parameters Δρmin = −0.66 e Å3