Acta Cryst. (2011). E67, m399  [ doi:10.1107/S160053681100729X ]

(2,2'-Bipyridine-²N,N')chlorido(2-hydroxy-2,2-diphenylacetato-²O¹,O^1')copper(II)

M. Y. Reza, L. A. Banu, M. S. Islam, S. W. Ng and E. R. T. Tiekink

Online 9 March 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.010 Å
• R factor = 0.060
• wR factor = 0.238
• Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  O2      ..       7.00 su   
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         10      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          1      
PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on     Cu       1.35 eA-3 

Alert level G
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.13      
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.       7.21      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu      (II)          2.27      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          54 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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