PMCCPMCCPMCC

Search tips
Search criteria 

Advanced

Logo of actaeInternational Union of Crystallographysearchopen accessarticle submissionjournal home pagethis article
 
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.025H-atom parameters constrained
wR(F2) = 0.065  w = 1/[σ2(Fo2) + (0.0303P)2 + 0.2885P] where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max < 0.001
1433 reflectionsΔρmax = 0.23 e Å3
117 parametersΔρmin = −0.17 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none