Acta Cryst. (2009). E65, i15  [ doi:10.1107/S1600536809004991 ]

I₈As₂₁Ge₂₅

K. Ayouz, M. Kars, A. Rebbah and H. Rebbah

Online 18 février 2009

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean () = 0.000 Å
• Disorder in main residue
• R factor = 0.030
• wR factor = 0.037
• Data-to-parameter ratio = 40.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT301_ALERT_3_A Main Residue  Disorder .........................      89.00 Perc.

Alert level C
ABSMU01_ALERT_1_C  The ratio of given/expected absorption coefficient lies
               outside the range 0.99 <> 1.01
            Calculated value of mu =    35.205
            Value of mu given      =    34.296
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT051_ALERT_1_C Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .       2.65 Perc.
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT951_ALERT_1_C Reported and Calculated Kmax Values Differ by ..          6      

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.137     0.330
            Tmin and Tmax expected:      0.091     0.301
            RR =      1.378
            Please check that your absorption correction is appropriate.
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           38.00
           From the CIF: _reflns_number_total                606
           From the CIF: _diffrn_reflns_limit_ max hkl   18.   10.   17.
           From the CIF: _diffrn_reflns_limit_ min hkl  -17.  -12.  -10.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   18.   18.   18.
           Calculated minimum hkl  -18.  -18.  -18.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   8 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
   3 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

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