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. 2022 Apr 5;78(Pt 5):481–484. doi: 10.1107/S2056989022003449
Refinement on F2 Primary atom site location: structure-invariant direct methods
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.023 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.056 w = 1/[σ2(Fo2) + (0.0284P)2 + 1.1852P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.002
4901 reflections Δρmax = 0.36 e Å3
372 parameters Δρmin = −0.62 e Å3
6 restraints