(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, m331-m332 [ doi:10.1107/S160053680100900X ]

Bis(2,2':6',2''-terpyridine)copper(II) diperchlorate hemihydrate

J. Valdés-Martínez, R. A. Toscano and D. Salazar-Mendoza

Online 6 July 2001

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
Disorder in solvent or counterion
R factor = 0.063
wR factor = 0.191
Data-to-parameter ratio = 11.6

checkCIF results

No syntax errors found


 Alert Level B:



PLAT_112  Alert B ADDSYM Detects Additional (Pseudo) Symm. Elem.          C


 Alert Level C:



PLAT_302  Alert C Anion/Solvent Disorder .......................      31.00 Perc.

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and _chemical_formula_moiety. This is           
          usually due to the moiety formula being in the wrong format.          
          Atom count from _chemical_formula_sum:   C30 H24 Cl2 Cu1 N6 O9        
          Atom count from _chemical_formula_moiety:C30 H23 Cl2 Cu1 N6 O8.5      


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check