Acta Cryst. (2005). E61, m1429-m1430  [ doi:10.1107/S160053680501980X ]

Bis(2-acetyl-5-hydroxyphenolato-²O,O')copper(II)

H. M. Ali, S. N. Abdul Halim and S. W. Ng

Online 30 June 2005

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.004 Å
• R factor = 0.036
• wR factor = 0.117
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT731_ALERT_1_C Bond    Calc     0.83(3), Rep   0.830(10) ......       3.00 su-Rat
              O3   -H3O     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.83(3), Rep   0.830(10) ......       3.00 su-Rat
              O3   -H3O     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.90(3), Rep   1.897(14) ......       2.14 su-Rat
              H3O  -O2      1.555   3.466                                       

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

   5 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
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL022_ALERT_1_A There is a mismatched ~ on line 138
              included in the refinement in the riding-model approximation, with U~iso(H) set
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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