(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]
Acta Cryst. (2004). E60, m65-m68 [ doi:10.1107/S160053680302782X ]
Bis{di--isobutyrato-bis[cis-diammineplatinum(II)]} tetraperchlorate

K. Sakai and E. Ishigami

Online 12 December 2003
Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.015 Å
H-atom completeness 97%
Disorder in solvent or counterion
R factor = 0.043
wR factor = 0.102
Data-to-parameter ratio = 20.2
checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR) is > 1.50
            Tmin and Tmax reported:      0.205     0.536
            Tmin and Tmax expected:      0.121     0.536
            RR =      1.691
            Please check that your absorption correction is appropriate.
PLAT060_ALERT_3_B Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.66       
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....        C10     
PLAT326_ALERT_2_B Check for Possibly Missing H on sp3? Carbon ....        C10     

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    C     Ueq(max)/Ueq(min) ...       2.80 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C11A     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C11B     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C16A     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C16B     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C14     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C6     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O17A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O17B     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O18B     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O19A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O20A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O20B     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O21A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O21B     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O22A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O22B     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O23A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O23B     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O24A     
PLAT243_ALERT_4_C High Solvent U(eq) as Compared to Neighbors ....       O24B     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl3     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl4     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl1     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl2     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc. 
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      29.00 Perc. 
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5A    ..  O2       =       2.71 Ang.  

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:C16 H52 Cl4 N8 O24 Pt4
            Atom count from the _atom_site data:  C16 H50 Cl4 N8 O24 Pt4
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  C16 H52 Cl4 N8 O24 Pt4
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         32.00     32.00    0.00
           H        104.00    100.00    4.00
           Cl         8.00      8.00    0.00
           N         16.00     16.00    0.00
           O         48.00     48.00    0.00
           Pt         8.00      8.00    0.00

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

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