(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i179 [ doi:10.1107/S1600536807042523 ]

Redetermination of hydrogenhydrazinium dichloride

R. Kruszynski and A. Trzesowska

Online 8 September 2007

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (N-N) = 0.001 Å
R factor = 0.017
wR factor = 0.044
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT127_ALERT_1_C Implicit Hall Symbol  Inconsistent with Explicit    -P 2ac 2ab   
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT737_ALERT_1_C D...A   Calc   3.0943(7), Rep   3.0944(3) ......       2.33 su-Ra
              N1   -CL1     1.555   1.555                                      

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

   3 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
   1 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