Acta Cryst. (2007). E63, i189  [ doi:10.1107/S1600536807050581 ]

NH₄PbI₃

L.-Q. Fan and J.-H. Wu

Online 19 October 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (b-I) = 0.001 Å
• R factor = 0.033
• wR factor = 0.083
• Data-to-parameter ratio = 27.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H2     ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H3     ...          ?      
PLAT732_ALERT_1_C Angle   Calc     109(11), Rep      108(5) ......       2.20 su-Ra
              H1   -N1   -H2      1.555   1.555   1.555                        
PLAT732_ALERT_1_C Angle   Calc      109(7), Rep      109(3) ......       2.33 su-Ra
              H1   -N1   -H3      1.555   1.555   1.555                        
PLAT732_ALERT_1_C Angle   Calc      110(7), Rep      110(3) ......       2.33 su-Ra
              H2   -N1   -H3      1.555   1.555   1.555                        

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT794_ALERT_5_G Check Predicted Bond Valency for Pb1         (2)       2.12      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          9      

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

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   1 ALERT type 5 Informative message, check

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