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. 2022 Apr 22;78(Pt 5):506–509. doi: 10.1107/S2056989022004200
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.056 H-atom parameters constrained
wR(F2) = 0.118 w = 1/[σ2(Fo2) + 34.6345P] where P = (Fo2 + 2Fc2)/3
S = 1.39 (Δ/σ)max = 0.001
6730 reflections Δρmax = 1.85 e Å3
361 parameters Δρmin = −1.11 e Å3
0 restraints