Acta Cryst. (2004). E60, i6-i7  [ doi:10.1107/S1600536803028939 ]

Na₃VOS₃

F. Q. Huang and J. A. Ibers

Online 24 December 2003

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (V-O) = 0.003 Å
• R factor = 0.017
• wR factor = 0.044
• Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       
PLAT031_ALERT_4_B Refined Extinction Parameter within Range ......       1.80 Sigma 

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 

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           28.79
           From the CIF: _reflns_number_total                872
           Count of symmetry unique reflns          507
           Completeness (_total/calc)            171.99%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       365
           Fraction of Friedel pairs measured     0.720
           Are heavy atom types Z>Si present          yes

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   2 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster