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. 2024 Mar 26;80(Pt 4):401–407. doi: 10.1107/S2056989024002494
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.035 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.095 w = 1/[σ2(Fo2) + (0.0615P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00 (Δ/σ)max < 0.001
1798 reflections Δρmax = 0.24 e Å3
152 parameters Δρmin = −0.22 e Å3
4 restraints