Acta Cryst. (2006). E62, m2934-m2936  [ doi:10.1107/S1600536806041985 ]

{Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-³N,N',N''}chloropalladium(II) chloride dihydrate

M. de los A. Mendoza, S. Bernès and G. Mendoza-Díaz

Online 18 October 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.027
• wR factor = 0.072
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pd1    -   Cl1     ..       5.17 su   
PLAT731_ALERT_1_C Bond    Calc     0.86(3), Rep   0.853(10) ......       3.00 su-Ra
              O1   -H12     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.82(4), Rep   0.827(10) ......       4.00 su-Ra
              O2   -H21     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.83(4), Rep   0.823(10) ......       4.00 su-Ra
              O2   -H22     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.86(3), Rep   0.853(10) ......       3.00 su-Ra
              O1   -H12     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.82(4), Rep   0.827(10) ......       4.00 su-Ra
              O2   -H21     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.83(4), Rep   0.823(10) ......       4.00 su-Ra
              O2   -H22     1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     2.27(3), Rep   2.267(14) ......       2.14 su-Ra
              H11  -CL2     1.555   3.656                                      

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

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster