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. 2022 Apr 28;78(Pt 5):536–539. doi: 10.1107/S2056989022004339
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.024 H-atom parameters constrained
wR(F2) = 0.052 w = 1/[σ2(Fo2) + (0.0235P)2 + 1.2859P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max = 0.001
2393 reflections Δρmax = 0.64 e Å3
167 parameters Δρmin = −0.79 e Å3
1 restraint