Acta Cryst. (2006). E62, m965-m967  [ doi:10.1107/S1600536806011585 ]

Aqua(L-aspartato-²N,O)(2,2'-bipyridine-²N,N)copper(II) pentahydrate

H.-J. Zhao, M.-X. Li, M. Shao and H.-J. Liu

Online 5 April 2006

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.003 Å
• R factor = 0.023
• wR factor = 0.063
• Data-to-parameter ratio = 9.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT731_ALERT_1_B Bond    Calc     0.84(6), Rep   0.846(10) ......       6.00 su-Rat
              O9   -H18     1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc     0.84(6), Rep   0.846(10) ......       6.00 su-Rat
              O9   -H18     1.555   1.555                                       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.64       
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...         11       
PLAT223_ALERT_4_C Large Solvent/Anion  H     Ueq(max)/Ueq(min) ...       3.02 Ratio 
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O6     -   H16    ...       0.66 Ang.  
PLAT354_ALERT_3_C Short   O-H Bond (0.82A)   O8     -   H21    ...       0.63 Ang.  

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

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

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