Acta Cryst. (2004). E60, m1400-m1402  [ doi:10.1107/S1600536804021944 ]

Octahedral and tetrahedral coordination for cobalt(II) in polymeric (₈-benzene-1,2,4,5-tetracarboxylato)bis(N,N-dimethylformamide)dicobalt

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

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.011 Å
• R factor = 0.055
• wR factor = 0.149
• Data-to-parameter ratio = 11.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       6.87 Ratio 

PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       7.75 Ratio 

Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.522     0.887
            Tmin' and Tmax expected:      0.710     0.884
            RR' =      0.733
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.72       
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors  for         N2     

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.56 Ratio 

PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N1     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11       
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      38.00 A   3  

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               3163
           Count of symmetry unique reflns         2254
           Completeness (_total/calc)            140.33%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       909
           Fraction of Friedel pairs measured     0.403
           Are heavy atom types Z>Si present          yes

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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