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Acta Cryst. (2005). E61, i180-i181  [ doi:10.1107/S1600536805022397 ]


M. Kars, A. Rebbah and H. Rebbah

Online 20 juillet 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT034_ALERT_1_C No Flack Parameter Given. Z .GT. Si, NonCentro . ? PLAT731_ALERT_1_C Bond Calc 2.3111(11), Rep 2.3112(5) ...... 2.20 su-Rat NB -S 1.555 1.555 PLAT732_ALERT_1_C Angle Calc 54.74(3), Rep 54.75(1) ...... 3.33 su-Rat CU -NB -S 1.555 1.555 1.555
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 45.00 From the CIF: _reflns_number_total 177 Count of symmetry unique reflns 177 Completeness (_total/calc) 100.00% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present yes
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 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 1 ALERT type 4 Improvement, methodology, query or suggestion

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