(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o162-o164 [ doi:10.1107/S1600536803029404 ]

Benzoylmethyltriphenylphosphonium hydrogen maleate: supramolecular layer formation due to C-HO interactions

M. Baby Mariyatra, E. C. Spencer, K. Panchanatheswaran and J. A. K. Howard

Online 10 January 2004

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R factor = 0.041
wR factor = 0.106
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.820     0.975
            Tmin' and Tmax expected:      0.949     0.975
            RR' =      0.864
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.86       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 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
   0 ALERT type 4 Improvement, methodology, query or suggestion