Skip to main content
. 2023 Sep 8;79(Pt 10):890–894. doi: 10.1107/S2056989023007181
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.050 H-atom parameters constrained
wR(F2) = 0.142 w = 1/[σ2(Fo2) + (0.0616P)2 + 0.4474P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max < 0.001
1492 reflections Δρmax = 0.29 e Å3
93 parameters Δρmin = −0.28 e Å3