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. 2021 Oct 19;77(Pt 11):1120–1125. doi: 10.1107/S2056989021010422
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.024 H-atom parameters constrained
wR(F2) = 0.067 w = 1/[σ2(Fo2) + (0.0348P)2 + 0.4033P] where P = (Fo2 + 2Fc2)/3
S = 1.14 (Δ/σ)max = 0.001
2100 reflections Δρmax = 0.25 e Å3
126 parameters Δρmin = −0.37 e Å3
0 restraints