(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o28-o30 [ doi:10.1107/S1600536803027168 ]

1,3-Diethylbenzimidazolium iodide

R. T. Stibrany, H. J. Schugar and J. A. Potenza

Online 6 December 2003

Key indicators

Single-crystal X-ray study
T = 277 K
Mean (C-C) = 0.008 Å
R factor = 0.041
wR factor = 0.114
Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.99       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.98       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.91 Ratio 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.09 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.35 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.42 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C1A     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C2A     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         10       

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   1 ALERT type 4 Improvement, methodology, query or suggestion