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. 2022 Feb 8;78(Pt 3):306–312. doi: 10.1107/S2056989022000858
Refinement on F2 All H-atom parameters refined
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.1405P)2] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.080 (Δ/σ)max = 0.001
wR(F2) = 0.209 Δρmax = 3.50 e Å3
S = 1.05 Δρmin = −6.06 e Å3
14190 reflections Extinction correction: SHELXL-2018/3 (Sheldrick 2018)
357 parameters Extinction coefficient: 0.119 (3)
1 restraint Absolute structure: Indeterminate for a neutron structure