Acta Cryst. (2006). E62, m2823-m2825  [ doi:10.1107/S1600536806040402 ]

catena-Poly[[[(pyridine-N)copper(II)]--N-(3-carboxysalicylidene)glycinato-⁴N,O,O':O'] monohydrate]

J.-H. Cai, Y.-H. Huang, Y.-M. Jiang and S. W. Ng

Online 11 October 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• Disorder in solvent or counterion
• R factor = 0.041
• wR factor = 0.095
• Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.74 Ratio
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O1W     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          5      
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.854(10) ......       3.00 su-Ra
              O2   -H2      1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              O2   -H2      1.555   1.555                                      

Alert level G
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
   7 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster