(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o434 [ doi:10.1107/S1600536807067086 ]

1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate

F.-H. Zhu, J.-X. Yang, Z.-H. Mao and R.-G. Xie

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
Disorder in solvent or counterion
R factor = 0.075
wR factor = 0.223
Data-to-parameter ratio = 11.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       2000 Deg. 
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   F6     -   F6A     ..       5.01 su   
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      36.00 Perc.
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          6      
PLAT432_ALERT_2_C Short Inter X...Y Contact  C9     ..  F6A     ..       2.92 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         81      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   1 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check