Acta Cryst. (2003). E59, m1031-m1034  [ doi:10.1107/S1600536803022943 ]

trans-Bis[(S)-(-)-2-aminomethyl-1-ethylpyrrolidine-²N]palladium(II) dichloride methanol trisolvate

M. D. Jones, F. A. Almeida Paz, J. E. Davies, B. F. G. Johnson and J. Klinowski

Online 23 October 2003

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean (C-C) = 0.005 Å
• Disorder in solvent or counterion
• R factor = 0.036
• wR factor = 0.075
• Data-to-parameter ratio = 21.9

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.98       

Alert level B
PLAT415_ALERT_2_B Short Inter D-H..H-X       H4C    ..  H17F     =       2.06 Ang.  

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      20.00 Perc. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              C H4 O                                                            

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           27.45
           From the CIF: _reflns_number_total               5324
           Count of symmetry unique reflns         3239
           Completeness (_total/calc)            164.37%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      2085
           Fraction of Friedel pairs measured     0.644
           Are heavy atom types Z>Si present          yes

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 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
   1 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
   3 ALERT type 4 Improvement, methodology, query or suggestion

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