(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5381-o5382 [ doi:10.1107/S1600536806045181 ]

1,1'-Methylenebis(4-methyl-1H-triazolium) dipicrate

C.-M. Jin, C.-Y. Chen, W.-D. Wang and X.-W. Zhou

Online 3 November 2006

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.002 Å
R factor = 0.046
wR factor = 0.133
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  O2     ..  C5      ..       2.91 Ang. 
PLAT432_ALERT_2_B Short Inter X...Y Contact  O8     ..  C3      ..       2.91 Ang. 

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N9     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N10     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C3      ..       2.97 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O10    ..  C3      ..       2.99 Ang. 

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   4 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
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check