Acta Cryst. (2008). E64, m509-m510  [ doi:10.1107/S1600536808005400 ]

trans-Diaquabis(ethylenediamine-²N,N')copper(II) bis[3-(3-pyridyl)propionate] dihydrate

J. Moncol, P. Segla, D. Miklos, A. Fischer and K. Marian

Online 5 March 2008

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.004 Å
• R factor = 0.042
• wR factor = 0.087
• Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cu     -   O1W     ..      17.09 su   

Alert level C
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          6      
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     -   N2      ..       6.76 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C5     

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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