(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1752-m1753 [ doi:10.1107/S1600536804027229 ]

-3,4,5,6-Tetrafluorophthalato-bis[tris(2-methyl-2-phenylpropyl)tin(IV)]

L.-J. Tian, Y.-X. Sun and S. W. Ng

Online 6 November 2004

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.006 Å
R factor = 0.028
wR factor = 0.068
Data-to-parameter ratio = 19.9

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:      0.759     0.935
            Tmin' and Tmax expected:      0.855     0.934
            RR' =      0.887
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.88       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.52       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.60 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C15     

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           27.50
           From the CIF: _reflns_number_total               7137
           Count of symmetry unique reflns         3795
           Completeness (_total/calc)            188.06%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      3342
           Fraction of Friedel pairs measured     0.881
           Are heavy atom types Z>Si present          yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   3 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