Acta Cryst. (2007). E63, i191  [ doi:10.1107/S1600536807052506 ]

Rb₃[PMo₁₂O₄₀], a compound containing Keggin anions

P. Armand, D. Granier and A. van der Lee

Online 31 October 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (P-O) = 0.005 Å
• R factor = 0.032
• wR factor = 0.086
• Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ...       1.66      
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.73      

Alert level C
DIFMN02_ALERT_2_C  The minimum difference density is < -0.1*ZMAX*0.75
            _refine_diff_density_min given =     -3.910
            Test value =     -3.150
DIFMN03_ALERT_1_C  The minimum difference density is < -0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.25      
PLAT098_ALERT_2_C Minimum (Negative) Residual Density ............      -3.91 e/A   
PLAT127_ALERT_1_C Implicit Hall Symbol  Inconsistent with Explicit    -P 4bc 2bc   
PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) .....          8 Ang. 
PLAT430_ALERT_2_C Short Inter D...A Contact  O5     ..  O7      ..       2.85 Ang. 
PLAT731_ALERT_1_C Bond    Calc    1.912(4), Rep  1.9115(13) ......       3.08 su-Ra
              MO2  -O4      1.555  29.555                                      
PLAT731_ALERT_1_C Bond    Calc    1.912(4), Rep  1.9115(13) ......       3.08 su-Ra
              MO2  -O4      1.555   1.555                                      

Alert level G
ABSTM02_ALERT_3_G  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      0.248
            Tmax scaled      0.248 Tmin scaled      0.130
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT794_ALERT_5_G Check Predicted Bond Valency for Mo2         (6)       5.72      

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

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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