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. 2025 Sep 5;81(Pt 10):916–919. doi: 10.1107/S2056989025007650
Refinement on F2 Primary atom site location: difference Fourier map
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.046 H-atom parameters constrained
wR(F2) = 0.137 w = 1/[σ2(Fo2) + (0.0521P)2 + 1.1524P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
5193 reflections Δρmax = 0.89 e Å3
217 parameters Δρmin = −0.68 e Å3
189 restraints