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. 2010 Jan 23;66(Pt 2):m189. doi: 10.1107/S1600536810002114
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. In Checkcif report, the following ALERTS were generatedPLAT230_ALERT_2_C Hirshfeld Test Diff for S1–C19.. 6.12 su PLAT230_ALERT_2_C Hirshfeld Test Diff for S2–C20.. 5.57 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M—X) Co1–O1..5.19 su Author response: referring to the alert levels C, similar anisotropic displacement ellipsoids were observed in the solvent-free cobalt(II) complex (Zeng et al., 2006), and similar distances for S—C and Co—O (2.268 (2) Å) are found in Zeng et al. (2006).