Acta Cryst. (2001). E57, m448-m450  [ doi:10.1107/S1600536801015008 ]

Absolute configuration of -(+)₅₈₉-tris(ethylenediamine)cobalt(III) triiodide monohydrate

R. Matsuki, M. Shiro, T. Asahi and H. Asai

Online 20 September 2001

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.005 Å
• R factor = 0.023
• wR factor = 0.066
• Data-to-parameter ratio = 32.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_420  Alert C D-H Without Acceptor       N3     -   H3N               ?

PLAT_420  Alert C D-H Without Acceptor       N3     -   H3N'              ?

PLAT_420  Alert C D-H Without Acceptor       N4     -   H4N               ?

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           30.10                 
         From the CIF: _reflns_number_total               5190                  
         Count of symmetry unique reflns         2943                           
         Completeness (_total/calc)            176.35%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2247                           
         Fraction of Friedel pairs measured     0.764                           
         Are heavy atom types Z>Si present          yes                         
          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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check

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