(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i102-i104 [ doi:10.1107/S1600536806043510 ]
Anhydrous barium strontium oxalate

C. Trifa, A. Bouhali, C. Boudaren, S. Bouacida and T. Bataille

Online 14 March 2007
Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.008 Å
Disorder in main residue
R factor = 0.026
wR factor = 0.077
Data-to-parameter ratio = 16.0
checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT040_ALERT_1_C No H-atoms in this Carbon Containing Compound ..          ?
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.70      
PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) .        500 Ang. 
PLAT301_ALERT_3_C Main Residue  Disorder .........................      13.00 Perc.
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      O2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      O2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      O1                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      O1                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      O2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    M      O2                                                  
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    O1     M                                                   
PLAT711_ALERT_1_C BOND    Unknown or Inconsistent Label ..........          M     
                    O2     M                                                   
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      O1                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      O2                                           
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O1     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            
PLAT712_ALERT_1_C ANGLE   Unknown or Inconsistent Label ..........          M     
                    O2     M      C                                            

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  44 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

  41 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check