(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o1405 [ doi:10.1107/S1600536810017964 ]

4-(3-Nitrophenyl)-1-(2-oxoindolin-3-ylidene)thiosemicarbazide

H. Pervez, M. S. Iqbal, N. Saira, M. Yaqub and M. N. Tahir

Online 22 May 2010

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.004 Å
R factor = 0.036
wR factor = 0.096
Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT915_ALERT_3_C Low Friedel Pair Coverage ......................      70.49 Perc.

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.49
           From the CIF: _reflns_number_total               2751
           Count of symmetry unique reflns         1759
           Completeness (_total/calc)            156.40%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       992
           Fraction of Friedel pairs measured     0.564
           Are heavy atom types Z>Si present        yes

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

   0 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
   2 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