(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o886-o888 [ doi:10.1107/S1600536803009280 ]

L-Argininium bis(dihydrogen phosphate)

R. Ittyachan, P. Sagayaraj and B. Kothandapani

Online 31 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.044
wR factor = 0.132
Data-to-parameter ratio = 7.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



PLAT_305  Alert A Isolated Hydrogen Atom (Outside Bond Range ??)       H(9)


 Alert Level C:



WEIGH_01  Alert C Extra text has been found in the                              
          _refine_ls_weighting_scheme field. This should be in the              
          _refine_ls_weighting_details field.                                   
          Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.1002P)^2^+0.238 
          Weighting scheme identified as calc                                   

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           67.92                 
         From the CIF: _reflns_number_total               1567                  
         Count of symmetry unique reflns         1569                           
         Completeness (_total/calc)             99.87%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check