(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m595-m596 [ doi:10.1107/S1600536802017610 ]

Tris(1,10-phenanthroline)copper(II) tricyanomethanide

I. Potocnák, M. Pohlová, C. Wagner and L. Jäger

Online 30 September 2002

Key indicators

Single-crystal X-ray study
T = 220 K
Mean (C-C) = 0.006 Å
R factor = 0.044
wR factor = 0.152
Data-to-parameter ratio = 13.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



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.

Author response: At IPDS area detector systems no standard reflections are measured. The mean intensities of the records showed no significant decay.

DIFF_022  Alert A _diffrn_standards_decay_% is missing                          
          Percentage decrease in standards intensity.

Author response: See above.


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.00                 
         From the CIF: _reflns_number_total               6872                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         7364                           
         Completeness (_total/calc)             93.32%                          
          Alert C: < 95% complete                                               

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(6)   -   C(8)   =       1.42 Ang.


 2 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check