(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m647-m649 [ doi:10.1107/S1600536804009249 ]

Polymeric bis(hydrogen pyrazine-2,3-dicarboxylato)copper(II) N,N'-dimethylformamide disolvate

G.-Q. Xiang, N.-W. Zhu, M.-L. Hu, H.-P. Xiao and X.-X. Chen

Online 24 April 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.013 Å
R factor = 0.096
wR factor = 0.264
Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found




Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.264
PLAT084_ALERT_2_C High R2 Value ..................................       0.26       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.51       
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         N3     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.17       
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   3 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
   1 ALERT type 4 Improvement, methodology, query or suggestion