(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m468-m470 [ doi:10.1107/S1600536804006592 ]

catena-Poly[[[aqua(1,10-phenanthroline)copper(II)]--isophthalato] N,N-dimethylformamide solvate monohydrate]

H.-P. Xiao, X.-H. Li and M.-L. Hu

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.039
wR factor = 0.117
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          2       
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         N3     
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C21     
PLAT751_ALERT_4_C Bond    Calc     1.46706, Rep    1.467(5) ......  Senseless su    
              N3   -C22     1.555   1.555                                       
PLAT751_ALERT_4_C Bond    Calc     1.52744, Rep    1.527(5) ......  Senseless su    
              N3   -C21     1.555   1.555                                       
PLAT752_ALERT_4_C Angle   Calc      119.23, Rep    119.2(3) ......  Senseless su    
              C23  -N3   -C22     1.555   1.555   1.555                         
PLAT752_ALERT_4_C Angle   Calc      117.88, Rep    117.8(3) ......  Senseless su    
              C23  -N3   -C21     1.555   1.555   1.555                         
PLAT752_ALERT_4_C Angle   Calc      122.25, Rep    122.3(3) ......  Senseless su    
              C22  -N3   -C21     1.555   1.555   1.555                         

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

   0 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
   7 ALERT type 4 Improvement, methodology, query or suggestion