(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i201 [ doi:10.1107/S160053680706000X ]

Caesium hexafluoridoiridate(IV)

A. I. Smolentsev, A. I. Gubanov, D. Y. Naumov and A. M. Danilenko

Online 23 November 2007

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (Ir-F) = 0.002 Å
R factor = 0.013
wR factor = 0.028
Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT731_ALERT_1_B Bond    Calc    3.156(3), Rep   3.1564(4) ......       7.50 su-Ra
              CS1  -F1      1.555   2.655                                      
PLAT731_ALERT_1_B Bond    Calc  3.1561(17), Rep   3.1564(4) ......       4.25 su-Ra
              CS1  -F1      1.555   3.665                                      
PLAT731_ALERT_1_B Bond    Calc  3.1567(18), Rep   3.1564(4) ......       4.50 su-Ra
              CS1  -F1      1.555   1.655                                      
PLAT731_ALERT_1_B Bond    Calc  3.1561(18), Rep   3.1564(4) ......       4.50 su-Ra
              CS1  -F1      1.555   1.555                                      
PLAT731_ALERT_1_B Bond    Calc  3.1567(19), Rep   3.1564(4) ......       4.75 su-Ra
              CS1  -F1      1.555   3.555                                      
PLAT731_ALERT_1_B Bond    Calc    3.157(3), Rep   3.1564(4) ......       7.50 su-Ra
              CS1  -F1      1.555   2.665                                      
PLAT731_ALERT_1_B Bond    Calc  3.1567(18), Rep   3.1564(4) ......       4.50 su-Ra
              F1   -CS1     1.555   1.455                                      
PLAT732_ALERT_1_B Angle   Calc    53.31(5), Rep    53.32(1) ......       7.14 su-Ra
              F1   -IR1  -CS1     1.555   1.555   1.555                        

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.12      

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

   8 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
   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