Acta Cryst. (2012). E68, o989  [ doi:10.1107/S1600536812008483 ]

A new polymorph of 5,5'-(ethane-1,2-diyl)bis(1H-tetrazole)

C.-F. Qiao, C.-S. Zhou, Q. Wei and Z.-Q. Xia

Online 7 March 2012

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.037
• wR factor = 0.098
• Data-to-parameter ratio = 8.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.65      
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.7      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          1      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          86 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   0 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster