(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, m595-m596 [ doi:10.1107/S1600536801019419 ]

Double cyclometallation of bis[3-(3-bromophenyl)pyrazol-1-yl]methane in the bis[acetylacetonatopalladium(II)] complex

O. Juanes, J.-C. Rodriguez-Ubis and C. J. Pastor

Online 24 November 2001

Key indicators

Single-crystal X-ray study
T = 297 K
Mean (C-C) = 0.016 Å
Disorder in solvent or counterion
R factor = 0.055
wR factor = 0.143
Data-to-parameter ratio = 10.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



THETM_01  Alert A The value of sine(theta_max)/wavelength is less than 0.550    
          Calculated sin(theta_max)/wavelength =    0.5427                      


 Alert Level C:



PLAT_302  Alert C Anion/Solvent Disorder .......................      40.00 Perc.

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      0.242                            
          Tmax scaled      0.225 Tmin scaled      0.091                         


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check