Acta Cryst. (2005). E61, m1431-m1432  [ doi:10.1107/S1600536805019811 ]

Bis(3-bromo-1-oxidoanthraquinone-²O¹,O⁹)bis(pyridine-N)copper(II) dihydrate

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

Online 30 June 2005

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.007 Å
• R factor = 0.048
• wR factor = 0.144
• Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT731_ALERT_1_B Bond    Calc     0.86(5), Rep   0.860(10) ......       5.00 su-Rat
              O1W  -H1W2    1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc     0.86(5), Rep   0.860(10) ......       5.00 su-Rat
              O1W  -H2#     1.555   1.555                                       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT731_ALERT_1_C Bond    Calc     0.86(3), Rep   0.860(10) ......       3.00 su-Rat
              O1W  -H1W1    1.555   1.555                                       
PLAT732_ALERT_1_C Angle   Calc      108(5), Rep      108(2) ......       2.50 su-Rat
              H1W1 -O1W  -H1W2    1.555   1.555   1.555                         
PLAT735_ALERT_1_C D-H     Calc     0.86(3), Rep   0.860(10) ......       3.00 su-Rat
              O1W  -H1#     1.555   1.555                                       

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

   7 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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