Acta Cryst. (2006). E62, i179-i181  [ doi:10.1107/S1600536806029369 ]

Diammonium sodium hexafluoroaluminate, (NH₄)₂NaAlF₆

S.-M. Luo, C.-X. Wang, X.-X. Liu, Z.-B. Wei and J.-X. Mi

Online 4 August 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (l-F) = 0.002 Å
• R factor = 0.020
• wR factor = 0.052
• Data-to-parameter ratio = 8.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.00      
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1     ...          ?      

Alert level G
REFLT03_ALERT_4_G  ALERT: MoKa measured Friedel data cannot be used to
                   determine absolute structure in a light-atom
                   study EXCEPT under VERY special conditions.
                   It is preferred that Friedel data is merged in such cases.
           From the CIF: _diffrn_reflns_theta_max           27.81
           From the CIF: _reflns_number_total                 56
           Count of symmetry unique reflns            1
           Completeness (_total/calc)           5600.00%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured        55
           Fraction of Friedel pairs measured    55.000
           Are heavy atom types Z>Si present         no

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

   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster