(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1451-o1452 [ doi:10.1107/S1600536803016933 ]

3,3'-(1,4-Naphthalenedimethylene)bis(1-ethylimidazolium) diiodide methanol solvate

R.-Y. Zou, F.-B. Xu, Q.-S. Li and Z.-Z. Zhang

Online 11 August 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.015 Å
R factor = 0.068
wR factor = 0.184
Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.30       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.14 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.41 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     -   C2       =       5.52 su    
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15       
PLAT731_ALERT_1_C Bond    Calc     1.52(2), Rep    1.523(9) ......       2.22 su-Rat
              C1   -C2      1.555   1.555                                       

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

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