Acta Cryst. (2004). E60, m1522-m1524  [ doi:10.1107/S1600536804023724 ]

catena-Poly[[(1,10-phenanthroline-²N,N')silver(I)]--chloro]

M. Odoko, Y. Wang and N. Okabe

Online 30 September 2004

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.010 Å
• R factor = 0.036
• wR factor = 0.066
• Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.456     0.810
            Tmin' and Tmax expected:      0.805     0.809
            RR' =      0.566
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.56       

Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.530
           From the CIF: _refine_ls_abs_structure_Flack_su    0.060
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.53       
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...     531.70 Ang-3 
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  CL1     ..       2.88 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6     ..  CL1     ..       2.96 Ang.  
PLAT731_ALERT_1_C Bond    Calc    2.535(3), Rep  2.5350(10) ......       3.00 su-Rat
              AG1  -CL1     1.555   1.556                                       
PLAT731_ALERT_1_C Bond    Calc    2.535(3), Rep  2.5350(10) ......       3.00 su-Rat
              CL1  -AG1     1.555   1.554                                       

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           27.40
           From the CIF: _reflns_number_total               1215
           Count of symmetry unique reflns          651
           Completeness (_total/calc)            186.64%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       564
           Fraction of Friedel pairs measured     0.866
           Are heavy atom types Z>Si present          yes

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

   4 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
   3 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster