Acta Cryst. (2008). E64, m853-m854  [ doi:10.1107/S1600536808015778 ]

Tetrakis(4-aminopyridine-N¹)dichloridocopper(II) monohydrate

H.-K. Fun, A. Sinthya, S. R. Jebas and S. Devadasan

Online 7 June 2008

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.042
• wR factor = 0.104
• Data-to-parameter ratio = 41.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cu1    --  Cl2     ..      89.11 su   
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Cu2    --  Cl4     ..      71.15 su   
PLAT417_ALERT_2_B Short Inter D-H..H-D       H16B   ..  H16B    ..       1.98 Ang. 

Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2B    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N6     -   H6B    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N8     -   H8A    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N12    -   H12B   ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N14    -   H14A   ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N16    -   H16A   ...          ?      
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 =          4      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........          4      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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