Acta Cryst. (2003). E59, m934-m935  [ doi:10.1107/S1600536803020464 ]

Hexakis(dimethyl sulfoxide-O)aluminium(III) trichloride

D. Boström, M. Clausén and M. Sandström

Online 24 September 2003

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (Al-O) = 0.001 Å
• R factor = 0.026
• wR factor = 0.068
• Data-to-parameter ratio = 30.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           29.98
           From the CIF: _reflns_number_total               1340
           From the CIF: _diffrn_reflns_limit_ max hkl   12.   14.   30.
           From the CIF: _diffrn_reflns_limit_ min hkl  -12.  -14.  -30.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   14.   14.   30.
           Calculated minimum hkl  -14.  -14.  -30.

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

   2 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
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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