(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m876-m877 [ doi:10.1107/S1600536803019421 ]

Bis[1,1,3,3-tetramethyl-1,3-bis(dichloroacetato)distannoxane]

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

Online 11 September 2003

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.013 Å
R factor = 0.059
wR factor = 0.129
Data-to-parameter ratio = 22.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91       

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.540     0.659
            Tmin and Tmax expected:      0.481     0.659
            RR =      1.121
            Please check that your absorption correction is appropriate.
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           28.30
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               3977
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         4345
           Completeness (_total/calc)             91.53%
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.13       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5     -   C7       =       5.17 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O2     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O3     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Sn1     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Sn2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C3     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C4     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C8     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          9     
            O4  -SN2 -O1  -SN1  -179.00  1.00   2.767   1.555   1.555   2.666   

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion