Acta Cryst. (2003). E59, m268-m270  [ doi:10.1107/S1600536803008262 ]

Cp₂Ti(dddse): a well known precursor for Se-containing donors

S. Vincendeau, V. Collière and C. Faulmann

Online 23 April 2003

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean (C-C) = 0.009 Å
• R factor = 0.035
• wR factor = 0.097
• Data-to-parameter ratio = 12.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



DIFF_019  Alert A _diffrn_standards_number is missing                           
          Number of standards used in measurement.                              

DIFF_020  Alert A _diffrn_standards_interval_count and                          
          _diffrn_standards_interval_time are missing. Number of measurements   
          between standards or time (min) between standards.                    

PLAT_724  Alert A Contact Calc     2.33953, Rep    2.30(10), Dev.      0.04 Ang.
                     H4B4 -H14A    1.555   4.565


 Alert Level C:



PLAT_213  Alert C Atom C13A    has ADP max/min Ratio ...........       3.40 prolate

General Notes



ABSTM_02  The ratio of expected to reported Tmax/Tmin(RR) is > 1.50             
          Tmin and Tmax reported:      0.341     0.765                          
          Tmin and Tmax expected:      0.194     0.808                          
          RR =      1.853                                                       
          Please check that your absorption correction is appropriate.          


 3 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

Copyright © International Union of Crystallography
IUCr Webmaster