(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i136-i137 [ doi:10.1107/S1600536807015899 ]

Tricaesium tetrachloridozincate(II) chloride

K. Fejfarova, R. Ouarsal, B. El Bali, M. Dusek and M. Lachkar

Online 30 April 2007

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (n-Cl) = 0.001 Å
R factor = 0.010
wR factor = 0.035
Data-to-parameter ratio = 20.8

checkCIF/PLATON results

No syntax errors found




Alert level B
CHEMS01_ALERT_1_B  The sum formula contains elements in the wrong order.
            Zn precedes Cl
            Sequence must be C, H, then alphabetical.

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio

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

   3 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
   0 ALERT type 5 Informative message, check