Acta Cryst. (2010). E66, m1486  [ doi:10.1107/S1600536810043205 ]

catena-Poly[[(1,10-phenanthroline-²N,N')copper(I)]-₂-iodido]

Y. Yang, W. Chai, L. Song and K. Shu

Online 31 October 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.007 Å
• R factor = 0.028
• wR factor = 0.056
• Data-to-parameter ratio = 17.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I1     --  Cu1     ..      11.07 su   

PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I1     --  Cu1_b   ..      16.21 su   

Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

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               2567
           Count of symmetry unique reflns         1547
           Completeness (_total/calc)            165.93%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1020
           Fraction of Friedel pairs measured     0.659
           Are heavy atom types Z>Si present        yes
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C4     -C6            1.42 Ang. 
PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack          !
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1     .......       0.95      

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

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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