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. 2015 Apr 11;71(Pt 5):o304–o305. doi: 10.1107/S2056989015006817
Refinement on F2 Primary atom site location: iterative
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.041 H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.110 w = 1/[σ2(Fo2) + (0.0437P)2 + 0.2092P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max < 0.001
2000 reflections Δρmax = 0.23 e Å3
153 parameters Δρmin = −0.22 e Å3
0 restraints