(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o2480 [ doi:10.1107/S160053680803746X ]

3,3'-Dimethyl-1,1'-(propane-1,3-diyl)diimidazol-1-ium bis(hexafluorophosphate)

J. Liang, S. Dong, H. Cang and J. Wang

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.008 Å
Disorder in solvent or counterion
R factor = 0.065
wR factor = 0.180
Data-to-parameter ratio = 9.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.37      
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          8      
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT221_ALERT_4_C Large Solvent/Anion  F     Ueq(max)/Ueq(min) ...       3.41 Ratio
PLAT234_ALERT_4_C Large Hirshfeld Difference N4     --  C11     ..       0.11  Ang.
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P2     

Alert level G
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      46.00 Perc.

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

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