[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1633-o1634
[ doi:10.1107/S1600536813027505 ]

4,4'-Oxybis(2,6-di­methyl­pyridinium) bis­(tri­fluoro­methane­sulfonate)

A. W. Stubbs, J. A. Golen, A. L. Rheingold and D. R. Manke


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT214_ALERT_2_B Atom F1 (Anion/Solvent) ADP max/min Ratio 5.7 prolat PLAT214_ALERT_2_B Atom F2 (Anion/Solvent) ADP max/min Ratio 5.7 prolat PLAT214_ALERT_2_B Atom F3 (Anion/Solvent) ADP max/min Ratio 5.7 prolat PLAT214_ALERT_2_B Atom F1' (Anion/Solvent) ADP max/min Ratio 5.7 prolat PLAT214_ALERT_2_B Atom F2' (Anion/Solvent) ADP max/min Ratio 5.7 prolat PLAT214_ALERT_2_B Atom F3' (Anion/Solvent) ADP max/min Ratio 5.7 prolat
Alert level C PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of S1 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.6 Note PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.7 Note PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 Why ?
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 16 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT231_ALERT_4_G Hirshfeld Test (Solvent) S1 -- C15 .. 6.0 su PLAT231_ALERT_4_G Hirshfeld Test (Solvent) F1 -- C15 .. 8.0 su PLAT231_ALERT_4_G Hirshfeld Test (Solvent) F3 -- C15 .. 8.3 su PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C16 Check PLAT302_ALERT_4_G Anion/Solvent Disorder ............ Percentage = 25 Note PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 C F3 O3 S PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 53 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 6 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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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