Acta Cryst. (2006). E62, m3435-m3436  [ doi:10.1107/S1600536806048471 ]

Chloro{1-[(1-hydroxymethyl-2-methylpropyl)iminomethyl]ferrocenyl-²C,N}(triphenylphosphine-P)palladium(II) dichloromethane solvate

H.-Y. Qian and X.-L. Cui

Online 24 November 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.011 Å
• R factor = 0.062
• wR factor = 0.146
• Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11      

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           26.00
           From the CIF: _reflns_number_total              12232
           Count of symmetry unique reflns         7115
           Completeness (_total/calc)            171.92%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      5117
           Fraction of Friedel pairs measured     0.719
           Are heavy atom types Z>Si present        yes
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C12    = .          R      
PLAT791_ALERT_1_G Confirm the Absolute Configuration of C47    = .          R      

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

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

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