Acta Cryst. (2009). E65, i18-i19  [ doi:10.1107/S1600536809005601 ]

Synthesis, crystal structure and Raman spectrum of K₂[(Pt₂)(HPO₄)₄(H₂O)₂] containing (Pt₂)⁶⁺ ions

K. Panagiotidis and R. Glaum

Online 21 February 2009

Key indicators

• Single-crystal X-ray study
• T = 123 K, P = 0.0 kPa
• Mean (P-O) = 0.005 Å
• R factor = 0.033
• wR factor = 0.086
• Data-to-parameter ratio = 21.6

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.060     0.224
            Tmin and Tmax expected:      0.053     0.218
            RR =      1.104
            Please check that your absorption correction is appropriate.
            Value of measurement temperature given =   123.000
            Value of melting point given =     0.000
PLAT060_ALERT_4_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.14      
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT482_ALERT_4_C Small D-H..A Angle Rep for O42    ..  O21     ..      94.00 Deg. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              K                                                                
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              K                                                                

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         10      
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      

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

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

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