(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o564-o565 [ doi:10.1107/S1600536804005276 ]

(Chloromethyl)trimethylsilane at 160 K

S. Fraser and S. Parsons

Key indicators

Powder X-ray study
T = 160 K
Mean (Si-C) = 0.004 Å
R factor = 0.040
wR factor = 0.115
Data-to-parameter ratio = 23.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing ..          ?

Alert level C
PLAT057_ALERT_3_C Correction for Absorption Required   RT(exp) ...       1.14       

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           25.00
           From the CIF: _reflns_number_total               1306
           Count of symmetry unique reflns          704
           Completeness (_total/calc)            185.51%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       602
           Fraction of Friedel pairs measured     0.855
           Are heavy atom types Z>Si present          yes

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 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
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion