Acta Cryst. (2006). E62, i231-i233  [ doi:10.1107/S1600536806043157 ]

Monopotassium monosodium hexahydrogen -hexamolybdoplatinate(IV) hexahydrate

U. Lee and H.-C. Joo

Online 25 October 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 = 0.031
• wR factor = 0.082
• Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......       O29W     

PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......       O30W     

Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.17 Ratio

Alert level C
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?

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)...          ?

PLAT214_ALERT_2_C Atom Na1     (Anion/Solvent) ADP max/min Ratio         4.10 prola

PLAT302_ALERT_4_C Anion/Solvent Disorder .........................       6.00 Perc.

PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              H2 O                                                             

PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             

PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #         10      
              Na                                                               

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   H18 K1 Mo6 Na1 O30 Pt1
            Atom count from _chemical_formula_moiety:H18 Mo6 O30
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 K1 Mo6 Na1 O30 Pt1
            Atom count from the _atom_site data:  H14 K1 Mo6 Na1 O30 Pt1
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    2
           From the CIF: _chemical_formula_sum  H18 K Mo6 Na O30 Pt
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           H         36.00     28.00    8.00
           K          2.00      2.00    0.00
           Mo        12.00     12.00    0.00
           Na         2.00      2.00    0.00
           O         60.00     60.00    0.00
           Pt         2.00      2.00    0.00

   2 ALERT level A = In general: serious problem
   1 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
   4 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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