Acta Cryst. (2004). E60, m1160-m1162  [ doi:10.1107/S160053680401668X ]

catena-Poly[[[(ethylenediamine-²N,N')zinc(II)]--oxalato] dihydrate]

G. A. van Albada, A. Mohamadou, I. Mutikainen, U. Turpeinen and J. Reedijk

Online 24 July 2004

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.007 Å
• R factor = 0.060
• wR factor = 0.163
• Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.33 Ratio 
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc. 
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C2     ...       1.56 Ang.  
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C6     -   C6_b   ...       1.56 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O8     ..  C1      ..       3.01 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O10    ..  C2      ..       3.01 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:   C4 H12 N2 O6 Zn1
            Atom count from _chemical_formula_moiety:C4 H12 N6 O6 Zn1

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

   4 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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