(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3167-m3169 [ doi:10.1107/S1600536806045260 ]

catena-Poly[[[aqua(dipyrido[3,2-a:2',3'-c]phenazine)cobalt(II)]--succinato] monohydrate]

C.-L. Liu, R.-Z. Wang and S.-C. Zhang

Online 3 November 2006

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.008 Å
R factor = 0.074
wR factor = 0.211
Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level B
DIFMX01_ALERT_2_B  The maximum difference density is > 0.1*ZMAX*1.00
            _refine_diff_density_max given =      3.078
            Test value =      2.700
PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density ....       7.12      
PLAT097_ALERT_2_B Maximum (Positive) Residual Density ............       3.08 e/A   

Alert level C
DIFMX02_ALERT_1_C  The maximum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7      

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

   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check