(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m775-m777 [ doi:10.1107/S1600536805009050 ]

Diaquabis(dimethyl sulfoxide)bis(2,4-dinitrobenzoato)cobalt(II)

E. B. Miminoshvili, K. E. Miminoshvili and A. N. Sobolev

Online 31 March 2005

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.001 Å
R factor = 0.026
wR factor = 0.075
Data-to-parameter ratio = 30.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.43 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       O42'     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.09       
PLAT301_ALERT_3_C Main Residue  Disorder .........................      13.00 Perc. 
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O41     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........       O41'     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O42     
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........       O42'     
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C4     ...       1.38 Ang.  
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C4     -   C5     ...       1.39 Ang.  
PLAT411_ALERT_2_C Short Inter H...H Contact  H5     ..  H5      ..       2.12 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C6     ..  C11     ..       3.18 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      10.10 Deg.  
              N4   -C4   -N4'     1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  14 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
  12 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