(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m692-m694 [ doi:10.1107/S1600536803016519 ]

-Nitrato-nitratobis[tris(2-aminoethyl)amine]dicadmium(II) dinitrate

J. Cai and S. W. Ng

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.009 Å
Disorder in solvent or counterion
R factor = 0.036
wR factor = 0.085
Data-to-parameter ratio = 17.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_302  Alert C Anion/Solvent Disorder .........................      43.00 Perc.

PLAT_420  Alert C D-H Without Acceptor       N7     -   H7N1   ...          ?

PLAT_420  Alert C D-H Without Acceptor       N9     -   H9N1   ...          ?

PLAT_420  Alert C D-H Without Acceptor       N9     -   H9N2   ...          ?

PLAT_726  Alert C H...A   Calc     2.19853, Rep     2.21000, Dev..       0.01 Ang.
                     H2N1 -O8'     1.555   1.555

PLAT_726  Alert C H...A   Calc     2.75025, Rep     2.74000, Dev..       0.01 Ang.
                     H9N1 -O7      1.555   2.665

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.40                 
         From the CIF: _reflns_number_total               6164                  
         Count of symmetry unique reflns         3317                           
         Completeness (_total/calc)            185.83%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2847                           
         Fraction of Friedel pairs measured     0.858                           
         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

 6 Alert Level C = Please check