Acta Cryst. (2007). E63, m2501-m2502  [ doi:10.1107/S1600536807043255 ]

Dichlorido{2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine-³N,N',N''}cadmium(II) acetonitrile solvate

R.-Q. Fan, P. Wang, Y.-L. Yang and Z.-W. Lv

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.007 Å
• R factor = 0.042
• wR factor = 0.091
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.92 Ratio
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C28     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C27     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H16A   ..  CL2     ..       2.84 Ang. 

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:   C29 H34 Cd1 Cl2 N4
            Atom count from _chemical_formula_moiety:C2 H3 N1
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cd1         (2)       2.11      

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

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

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