Acta Cryst. (2009). E65, i23-i24  [ doi:10.1107/S1600536809006874 ]

[Cu₂(HF₂)(H₂O)₈][FeF₆]·2H₂O

A. Le Bail and A.-M. Mercier

Online 6 March 2009

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (Cu-O) = 0.003 Å
• R factor = 0.040
• wR factor = 0.080
• Data-to-parameter ratio = 24.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H42    ..  H52     ..       1.98 Ang. 

Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.75 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  F4      ..       6.96 su   
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O1     -   H11    ...       1.01 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O2     -   H21    ...       1.02 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O3     -   H31    ...       1.07 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O3     -   H32    ...       1.04 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O4     -   H41    ...       1.02 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O4     -   H42    ...       1.01 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O5     -   H51    ...       1.01 Ang. 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O5     -   H52    ...       1.05 Ang. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         15      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

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

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