Acta Cryst. (2004). E60, m1276-m1277  [ doi:10.1107/S1600536804018574 ]

Dibromo[2,2',3,3'-tetrahydro-3,3'-bis(4-methoxybenzyl)-1,1'-methylenedi-1H-imidazole-²C²,C^2']palladium(II)

H. M. Lee and P. L. Chiu

Online 21 August 2004

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.014 Å
• R factor = 0.052
• wR factor = 0.113
• Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT213_ALERT_2_B Atom C2      has ADP max/min Ratio .............       4.70 oblate
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.20 Ratio 

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.66 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.33 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for         O1     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         14       
PLAT732_ALERT_1_C Angle   Calc    92.84(3), Rep   92.84(12) ......       4.00 su-Rat
              BR1  -PD1  -BR2     1.555   1.555   1.555                         

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           28.36
           From the CIF: _reflns_number_total               5870
           Count of symmetry unique reflns         2956
           Completeness (_total/calc)            198.58%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2914
           Fraction of Friedel pairs measured     0.986
           Are heavy atom types Z>Si present          yes

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

   1 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
   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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