[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2694
[ doi:10.1107/S1600536812034575 ]

4-{(E)-2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium tetraphenylborate

D.-D. Li, R. Li and S.-L. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for N2 -- C15 .. 13.0 su PLAT330_ALERT_2_B Large Average Phenyl C-C Dist. C25 -C30 1.42 Ang. PLAT330_ALERT_2_B Large Average Phenyl C-C Dist. C37 -C42 1.42 Ang. PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT148_ALERT_3_C su on the a - Axis is (Too) Large ........ 0.080 Ang.
Author Response: These su's appear to be correct. Co-editor has checked the authors original P4P file. May reflect poor crystal quality.
PLAT148_ALERT_3_C su on the      b  - Axis is (Too) Large ........     0.0200 Ang. 
Author Response: These su's appear to be correct. Co-editor has checked the authors original P4P file. May reflect poor crystal quality.
PLAT148_ALERT_3_C su on the      c  - Axis is (Too) Large ........      0.030 Ang. 
Author Response: These su's appear to be correct. Co-editor has checked the authors original P4P file. May reflect poor crystal quality.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     --  C9      ..        7.0 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C9     --  C10     ..        5.3 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C9     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C13     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15     
PLAT330_ALERT_2_C Large Average Phenyl  C-C Dist.  C19    -C24           1.42 Ang. 
PLAT330_ALERT_2_C Large Average Phenyl  C-C Dist.  C31    -C34           1.42 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0049 Ang  
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -0.427      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         34      
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          1      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C17 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C17' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 4 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 5 ALERT level B = A potentially serious problem, consider carefully 14 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 10 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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