(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m20-m21 [ doi:10.1107/S160053680102092X ]

The space group of tris(dimethyldithiophosphato)osmium(III)

S. W. Ng

Online 14 December 2001

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (O-C) = 0.005 Å
R factor = 0.017
wR factor = 0.043
Data-to-parameter ratio = 17.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



ABSTM_02  Alert B The ratio of expected to reported Tmax/Tmin(RR) is > 1.50     
          Tmin and Tmax reported:      0.119     0.180                          
          Tmin and Tmax expected:      0.195     0.491                          
          RR =      1.665                                                       
          Please check that your absorption correction is appropriate.

Author response: ... The compound contains a heavy osmium atom. The absorption correction used 5 intense reflections in the theta = 4.7 to 21.2 deg. range. The absorption correction is adequate as there are no large peaks in the final difference Fourier.

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      2.730                            
          Tmax scaled      0.491 Tmin scaled      0.325                         


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check