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[Contents scheme]

Acta Cryst. (2013). E69, m226
[ doi:10.1107/S160053681300737X ]

cis,cis,cis-(Acetato-[kappa]2O,O')bis[1,2-bis(diphenylphosphanyl)ethane-[kappa]2P,P']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride

J. Figueira, J. Rodrigues and A. Valkonen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 15
Alert level C PLAT214_ALERT_2_C Atom O5 (Anion/Solvent) ADP max/min Ratio 4.3 prola PLAT231_ALERT_4_C Hirshfeld Test (Solvent) S1 -- O3 .. 8.8 su PLAT231_ALERT_4_C Hirshfeld Test (Solvent) S1 -- O4 .. 7.0 su PLAT231_ALERT_4_C Hirshfeld Test (Solvent) S1 -- O5 .. 7.5 su PLAT234_ALERT_4_C Large Hirshfeld Difference F1 -- C55 .. 0.20 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference F3 -- C55 .. 0.20 Ang. PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.9 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0083 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.884 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 5 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 43.97 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C55 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 67 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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