Acta Cryst. (2008). E64, m267-m268  [ doi:10.1107/S1600536807067153 ]

Poly[propane-1,3-diammonium [cuprate(II)-bis(₂-pyridine-2,3-dicarboxylato)] trihydrate]

H. Aghabozorg, R. Khadivi, M. Ghadermazi, H. Pasdar and S. Hooshmand

Online 4 January 2008

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.007 Å
• Disorder in main residue
• R factor = 0.063
• wR factor = 0.176
• Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  O2     ..  C8      ..       2.89 Ang. 
PLAT432_ALERT_2_B Short Inter X...Y Contact  C6     ..  C8      ..       3.07 Ang. 

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT301_ALERT_3_C Main Residue  Disorder .........................       4.00 Perc.
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........       O1WA     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........       O1WB     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2      

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

   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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