Acta Cryst. (2008). E64, m1086  [ doi:10.1107/S1600536808023647 ]

A dinuclear copper complex: bis(-4-aminobenzoato)bis[aqua(1,10-phenanthroline)copper(II)] dichloride bis(4-aminobenzoic acid) dihydrate

M.-L. Huang, Q.-F. Xie, J.-C. Xian, Y.-M. Chen and Z.-Q. Zhou

Online 31 July 2008

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.004 Å
• Disorder in solvent or counterion
• R factor = 0.033
• wR factor = 0.091
• Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H3B    ..  H4W     ..       1.89 Ang. 

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    N     Ueq(max)/Ueq(min) ...       2.52 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C14    --  C15     ..       5.05 su   
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........         O7     
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5      
              Cl                                                               

Alert level G
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      33.00 Perc.

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

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

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