Acta Cryst. (2006). E62, m3465-m3466  [ doi:10.1107/S1600536806048926 ]

Bis(-3,5-dimethylpyrazolato-²N:N')bis[(4,4'-dimethyl-2,2'-bipyridine-²N,N')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate

H.-P. Huang, Q. Wu and G.-Q. Mei

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.009 Å
• Disorder in solvent or counterion
• R factor = 0.063
• wR factor = 0.169
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P2     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C35     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C37     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C39     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      43.00 Perc.
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9      

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:   C38 H44 F12 N10 P2 Pd2
            Atom count from _chemical_formula_moiety:C42 H50 F24 N12 P4 Pd2
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   4 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
   1 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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