(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m847-m848 [ doi:10.1107/S1600536803019299 ]

catena-Poly[-trifluoroacetato-O:O'-dimethyl-4-fluorophenyltin(IV)]

M. M. Amini, S. H. Abadi, M. Mirzaee, S.-Y. Yang and S. W. Ng

Online 5 September 2003

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
R factor = 0.030
wR factor = 0.061
Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.96       

Alert level B
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        C10     

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          4     
            O2  -SN1 -O1  -C9    178.10  0.70   4.656   1.555   1.555   1.555   

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           28.30
           From the CIF: _reflns_number_total               2931
           Count of symmetry unique reflns         1827
           Completeness (_total/calc)            160.43%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1104
           Fraction of Friedel pairs measured     0.604
           Are heavy atom types Z>Si present          yes

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   3 ALERT type 4 Improvement, methodology, query or suggestion