Skip to main content
. 2015 Jan 17;71(Pt 2):o115–o116. doi: 10.1107/S2056989015000596
Refinement on F2 Hydrogen site location: mixed
Least-squares matrix: full H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.030 w = 1/[σ2(Fo2) + (0.0483P)2 + 0.551P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.082 (Δ/σ)max = 0.002
S = 1.06 Δρmax = 0.53 e Å3
11408 reflections Δρmin = −0.31 e Å3
213 parameters Absolute structure: Flack (1983), 5353 Friedel pairs
0 restraints Absolute structure parameter: 0.50 (3)