(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2461-o2463 [ doi:10.1107/S1600536805021446 ]

4'-Hydroxy-4-methylstilbazolium tetraphenylborate dimethyl sulfoxide solvate

W. Yang, S.-J. Li and D.-C. Zhang

Online 9 July 2005

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.046
wR factor = 0.121
Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT301_ALERT_3_B Main Residue  Disorder .........................      28.00 Perc. 

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O1'     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for          S     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3       
PLAT722_ALERT_1_C Angle   Calc      115.00, Rep      116.30 Dev...       1.30 Deg.  
              C8   -C7   -H7      1.555   1.555   1.555                         
PLAT722_ALERT_1_C Angle   Calc      115.00, Rep      116.30 Dev...       1.30 Deg.  
              C4   -C7   -H7      1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion