(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1051-m1052 [ doi:10.1107/S160053680501281X ]

Redetermination of L-(-)-dichloro(N,N-diethyldithiocarbamato)(-menthoxycarbonylethyl)tin(IV)

S. W. Ng

Online 7 May 2005

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.007 Å
R factor = 0.035
wR factor = 0.079
Data-to-parameter ratio = 24.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.88 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Sn1    -   S2      ..       6.12 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sn1     

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               5665
           Count of symmetry unique reflns         3278
           Completeness (_total/calc)            172.82%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2387
           Fraction of Friedel pairs measured     0.728
           Are heavy atom types Z>Si present          yes

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