(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m1507-m1509 [ doi:10.1107/S1600536804023384 ]

The 1:1 adduct of cobalt(II) terephthalate with N,N-dimethylformamide

Y.-L. Fu, J.-L. Ren and S. W. Ng

Online 30 September 2004

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.003 Å
R factor = 0.032
wR factor = 0.093
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT076_ALERT_1_C Occupancy       0.50 less than 1.0 for Sp.pos  .         C4       
PLAT076_ALERT_1_C Occupancy       0.50 less than 1.0 for Sp.pos  .         C5       
PLAT076_ALERT_1_C Occupancy       0.50 less than 1.0 for Sp.pos  .         C6       
PLAT076_ALERT_1_C Occupancy       0.50 less than 1.0 for Sp.pos  .         H4       
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.27 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.31 Ratio 
PLAT301_ALERT_3_C Main Residue  Disorder .........................      15.00 Perc. 

   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

   6 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion