Acta Cryst. (2006). E62, i241-i243  [ doi:10.1107/S1600536806046125 ]

Dipotassium hexahydrogen hexamolybdoplatinate(IV) hexahydrate

U. Lee and H.-C. Joo

Online 8 November 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (o-O) = 0.005 Å
• H-atom completeness 78%
• Disorder in solvent or counterion
• R factor = 0.033
• wR factor = 0.081
• Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......       O16W     

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?

PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?

PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.69 Ratio

PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.67 Ratio

PLAT245_ALERT_2_C U(iso) H14B    Smaller than U(eq) O14W    by ...       0.02 AngSq

PLAT245_ALERT_2_C U(iso) H13     Smaller than U(eq) O13W    by ...       0.01 AngSq

PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      17.00 Perc.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:H18 K2 Mo6 O30 Pt1
            Atom count from the _atom_site data:  H14 K2 Mo6 O30 Pt1
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
            Tmin and Tmax reported:      0.229     0.376
            Tmin and Tmax expected:      0.042     0.366
            RR =      5.354
            Please check that your absorption correction is appropriate.
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    4
           From the CIF: _chemical_formula_sum  H18 K2 Mo6 O30 Pt
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H         72.00     56.00   16.00
           K          8.00      8.00    0.00
           Mo        24.00     24.00    0.00
           O        120.00    120.00    0.00
           Pt         4.00      4.00    0.00

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

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

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