(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m413-m415 [ doi:10.1107/S160053680400621X ]

catena-Poly[[[aquazinc(II)]--2,2'-dithiodibenzoato] bis(N,N-dimethylformamide)]

S. Wang, H. Mao-Lin and F. Chen

Online 20 March 2004

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R factor = 0.054
wR factor = 0.125
Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Zn1     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         N1     
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         N2     
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C5     ..  O1      ..      98.00 Deg.  
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C12    ..  O4      ..      98.00 Deg.  
PLAT731_ALERT_1_C Bond    Calc     0.84(4), Rep   0.841(19) ......       2.11 su-Rat
              O7   -H7B     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.84(4), Rep   0.841(19) ......       2.11 su-Rat
              O7   -H7B     1.555   1.555                                       
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.12 Ratio 

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

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