Acta Cryst. (2004). E60, m1081-m1083  [ doi:10.1107/S1600536804016277 ]

Diaquabis(ethylenediamine-²N,N')copper(II) bis(4-fluorobenzoate)

Z.-D. Liu, M.-Y. Tan and H.-L. Zhu

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.009 Å
• R factor = 0.057
• wR factor = 0.181
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density ....       4.69       

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT320_ALERT_2_C Check Hybridisation of  C1     in Main Residue .          ?     
PLAT320_ALERT_2_C Check Hybridisation of  C2     in Main Residue .          ?     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT731_ALERT_1_C Bond    Calc     0.84(3), Rep   0.837(10) ......       3.00 su-Rat
              O1W  -H1WA    1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.84(4), Rep   0.836(10) ......       4.00 su-Rat
              O1W  -H1WB    1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.84(3), Rep   0.837(10) ......       3.00 su-Rat
              O1W  -H1#     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.84(4), Rep   0.836(10) ......       4.00 su-Rat
              O1W  -H2#     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.94(4), Rep   1.936(15) ......       2.67 su-Rat
              H1#  -O1      1.555   2.565                                       

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

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

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